CID 91821

2-chloro-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5ClO3
SMILES
C1=CC(=C(C=C1O)Cl)C(=O)O
InChI
InChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey
WIPYZRZPNMUSER-UHFFFAOYSA-N
Compound name
2-chloro-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1068
Patents

171.99272 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.999996 128.0
[M+Na]+ 194.981938 138.0
[M-H]- 170.985444 129.9
[M+NH4]+ 190.026543 148.2
[M+K]+ 210.955878 134.3
[M+H-H2O]+ 154.989980 124.5
[M+HCOO]- 216.990921 145.7
[M+CH3COO]- 231.006571 172.3
[M+Na-2H]- 192.967386 133.4
[M]+ 171.99217142 129.3
[M]- 171.99326858 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