CID 2773568

3-chloro-2,6-difluorophenylacetic acid

Structural Information

Molecular Formula

C₈H₅ClF₂O₂

SMILES

C1=CC(=C(C(=C1F)CC(=O)O)F)Cl

InChI

InChI=1S/C8H5ClF2O2/c9-5-1-2-6(10)4(8(5)11)3-7(12)13/h1-2H,3H2,(H,12,13)

InChIKey

KYNHMNUEUZZTLW-UHFFFAOYSA-N

Compound name

2-(3-chloro-2,6-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 205.99461 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]+	207.00189	137.2
[M+Na]+	228.98383	149.0
[M+NH4]+	224.02843	144.0
[M+K]+	244.95777	143.4
[M-H]-	204.98733	135.6
[M+Na-2H]-	226.96928	142.0
[M]+	205.99406	138.4
[M]-	205.99516	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe