CID 2773723

5-chloro-2-fluorophenylacetic acid

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

C1=CC(=C(C=C1Cl)CC(=O)O)F

InChI

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

InChIKey

NOKLOLLCDCEFAK-UHFFFAOYSA-N

Compound name

2-(5-chloro-2-fluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
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]+	189.011306	131.5
[M+Na]+	210.993248	141.6
[M-H]-	186.996754	133.1
[M+NH4]+	206.037853	151.7
[M+K]+	226.967188	137.5
[M+H-H2O]+	171.001290	126.7
[M+HCOO]-	233.002231	149.0
[M+CH3COO]-	247.017881	178.5
[M+Na-2H]-	208.978696	136.3
[M]+	188.00348142	132.4
[M]-	188.00457858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe