CID 22116789

5-chloro-4-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4ClFO3
SMILES
C1=C(C(=CC(=C1Cl)F)O)C(=O)O
InChI
InChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChIKey
DDRJDFULMKUQRV-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

No literature data available for this compound.

Patent stripe

patents stripe