CID 69717797

5-chloro-3-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4ClFO3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)F)Cl
InChI
InChI=1S/C7H4ClFO3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
OKJLACJZUTVMDW-UHFFFAOYSA-N
Compound name
5-chloro-3-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

189.9833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.990576 129.4
[M+Na]+ 212.972518 140.4
[M-H]- 188.976024 130.2
[M+NH4]+ 208.017123 149.1
[M+K]+ 228.946458 136.3
[M+H-H2O]+ 172.980560 125.2
[M+HCOO]- 234.981501 146.0
[M+CH3COO]- 248.997151 176.3
[M+Na-2H]- 210.957966 133.6
[M]+ 189.98275142 130.0
[M]- 189.98384858 130.0
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