1,4-dichlorobenzene dihydrodiol
Formula: C6H6Cl2O2 (179.9745)
Chinese Name:
BioDeep ID: BioDeep_00000006415
( View LC/MS Profile)
SMILES: C1=C(C(C(C(=C1)Cl)O)O)Cl
Found 6 Sample Hits
m/z | Adducts | Species | Organ | Scanning | Sample | |
---|---|---|---|---|---|---|
180.9847 | [M+H]+PPM:16.2 |
Homo sapiens | esophagus | DESI () |
LNTO29_16_2 - MTBLS385Resolution: 17μm, 95x101
|
|
180.9845 | [M+H]+PPM:15.1 |
Homo sapiens | esophagus | DESI () |
LNTO29_16_3 - MTBLS385Resolution: 17μm, 108x107
|
|
180.9847 | [M+H]+PPM:16.2 |
Homo sapiens | esophagus | DESI () |
TO31T - MTBLS385Resolution: 75μm, 56x54
|
|
180.9847 | [M+H]+PPM:16.2 |
Homo sapiens | esophagus | DESI () |
TO29T - MTBLS385Resolution: 75μm, 56x48
|
|
180.9845 | [M+H]+PPM:15.1 |
Homo sapiens | esophagus | DESI () |
LNTO30_8M_5 - MTBLS385Resolution: 75μm, 56x54
|
|
180.9851 | [M+H]+PPM:18.5 |
Homo sapiens | esophagus | DESI () |
LNTO30_7_2 - MTBLS385Resolution: 75μm, 82x68
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1,4-dichlorobenzene dihydrodiol, also known as 3,6-dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene, is a member of the class of compounds known as chlorohydrins. Chlorohydrins are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups. 1,4-dichlorobenzene dihydrodiol is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,4-dichlorobenzene dihydrodiol can be found in a number of food items such as parsley, white lupine, radish, and mamey sapote, which makes 1,4-dichlorobenzene dihydrodiol a potential biomarker for the consumption of these food products.