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

5
Patents

189.9833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99058 131.7
[M+Na]+ 212.97252 144.1
[M+NH4]+ 208.01712 138.9
[M+K]+ 228.94646 139.4
[M-H]- 188.97602 130.8
[M+Na-2H]- 210.95797 136.7
[M]+ 189.98275 133.2
[M]- 189.98385 133.2
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