CID 29078099

4068-62-6

Structural Information

Molecular Formula

C₇H₄ClFO₃

SMILES

C1=C(C=C(C(=C1C(=O)O)O)Cl)F

InChI

InChI=1S/C7H4ClFO3/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,10H,(H,11,12)

InChIKey

TUGUWXUGRHXDIW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 189.9833 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe