CID 15618185

3,6-dichloro-4-methylbenzene-1,2-diol

Structural Information

Molecular Formula
C7H6Cl2O2
SMILES
CC1=CC(=C(C(=C1Cl)O)O)Cl
InChI
InChI=1S/C7H6Cl2O2/c1-3-2-4(8)6(10)7(11)5(3)9/h2,10-11H,1H3
InChIKey
CHQNQSPYETYIHI-UHFFFAOYSA-N
Compound name
3,6-dichloro-4-methylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

73
Patents

191.97449 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98177 130.8
[M+Na]+ 214.96371 142.9
[M-H]- 190.96721 132.5
[M+NH4]+ 210.00831 151.4
[M+K]+ 230.93765 137.5
[M+H-H2O]+ 174.97175 128.7
[M+HCOO]- 236.97269 143.9
[M+CH3COO]- 250.98834 177.5
[M+Na-2H]- 212.94916 135.3
[M]+ 191.97394 133.6
[M]- 191.97504 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe