CID 13635256

3-chloro-4,5-dimethylbenzene-1,2-diol

Structural Information

Molecular Formula
C8H9ClO2
SMILES
CC1=CC(=C(C(=C1C)Cl)O)O
InChI
InChI=1S/C8H9ClO2/c1-4-3-6(10)8(11)7(9)5(4)2/h3,10-11H,1-2H3
InChIKey
FRAFQBHSRUCAFR-UHFFFAOYSA-N
Compound name
3-chloro-4,5-dimethylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.02911 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03639 130.0
[M+Na]+ 195.01833 141.5
[M-H]- 171.02183 132.3
[M+NH4]+ 190.06293 151.1
[M+K]+ 210.99227 137.3
[M+H-H2O]+ 155.02637 127.0
[M+HCOO]- 217.02731 147.9
[M+CH3COO]- 231.04296 175.7
[M+Na-2H]- 193.00378 134.7
[M]+ 172.02856 132.3
[M]- 172.02966 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe