MSI_000053469
Unreliable
排名分数: 2.44
参考来源: DESI (NOVOCELL:BACKGROUND: blank)
M/z: 180.9847
Mass Window: 180.9847 ~ 180.9847 (none)
参考注释
1,4-dichlorobenzene dihydrodiol_[M+H]+ (BioDeep_00000006415)3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene
Formula: C6H6Cl2O2 (179.9744836)
SMILES:
C1=C(C(C(C(=C1)Cl)O)O)Cl
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.