CID 65438157

6-chloro-2-hydroxy-3-methylbenzoic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
CC1=C(C(=C(C=C1)Cl)C(=O)O)O
InChI
InChI=1S/C8H7ClO3/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
AJRBNUDKXUOATE-UHFFFAOYSA-N
Compound name
6-chloro-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.00838 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 131.9
[M+Na]+ 208.997598 142.5
[M-H]- 185.001104 134.0
[M+NH4]+ 204.042203 151.9
[M+K]+ 224.971538 138.6
[M+H-H2O]+ 169.005640 128.6
[M+HCOO]- 231.006581 149.3
[M+CH3COO]- 245.022231 176.6
[M+Na-2H]- 206.983046 136.2
[M]+ 186.00783142 134.0
[M]- 186.00892858 134.0
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