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 130.6
[M+Na]+ 195.01833 145.1
[M+NH4]+ 190.06293 139.5
[M+K]+ 210.99227 138.9
[M-H]- 171.02183 132.3
[M+Na-2H]- 193.00378 136.9
[M]+ 172.02856 133.5
[M]- 172.02966 133.5
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