CID 19860

3-chloro-4-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2067
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

literature stripe

Patent stripe

patents stripe