CID 84023114

5-chloro-4-hydroxy-2-methylbenzoic acid

Structural Information

Molecular Formula
C8H7ClO3
SMILES
CC1=CC(=C(C=C1C(=O)O)Cl)O
InChI
InChI=1S/C8H7ClO3/c1-4-2-7(10)6(9)3-5(4)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKey
RSBLFGDBRKECAV-UHFFFAOYSA-N
Compound name
5-chloro-4-hydroxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 131.9
[M+Na]+ 208.99760 142.5
[M-H]- 185.00110 134.0
[M+NH4]+ 204.04220 151.9
[M+K]+ 224.97154 138.6
[M+H-H2O]+ 169.00564 128.6
[M+HCOO]- 231.00658 149.3
[M+CH3COO]- 245.02223 176.6
[M+Na-2H]- 206.98305 136.2
[M]+ 186.00783 134.0
[M]- 186.00893 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