CID 141872

4-chloro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5ClO3
SMILES
C1=CC(=C(C=C1C(=O)O)O)Cl
InChI
InChI=1S/C7H5ClO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey
SCPUNJAMWFAYED-UHFFFAOYSA-N
Compound name
4-chloro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

458
Patents

171.99272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00000 128.0
[M+Na]+ 194.98194 138.0
[M-H]- 170.98544 129.9
[M+NH4]+ 190.02654 148.2
[M+K]+ 210.95588 134.3
[M+H-H2O]+ 154.98998 124.5
[M+HCOO]- 216.99092 145.7
[M+CH3COO]- 231.00657 172.3
[M+Na-2H]- 192.96739 133.4
[M]+ 171.99217 129.3
[M]- 171.99327 129.3
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