CID 55266712

2-(2-chloro-3-fluorophenyl)acetic acid

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

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

InChI

InChI=1S/C8H6ClFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)

InChIKey

JNMBDAACHFCAKX-UHFFFAOYSA-N

Compound name

2-(2-chloro-3-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 188.00403 Da
Monoisotopic Mass: 2.1
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]+	189.01131	133.1
[M+Na]+	210.99325	146.0
[M+NH4]+	206.03785	141.1
[M+K]+	226.96719	140.0
[M-H]-	186.99675	133.1
[M+Na-2H]-	208.97870	139.2
[M]+	188.00348	135.1
[M]-	188.00458	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe