CID 123585

2,6-difluorophenylacetic acid

Structural Information

Molecular Formula

C₈H₆F₂O₂

SMILES

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

InChI

InChI=1S/C8H6F2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey

FUGDCKXBUZFEON-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 649
Patents: 172.03358 Da
Monoisotopic Mass: 1.5
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]+	173.04086	135.0
[M+Na]+	195.02280	145.9
[M+NH4]+	190.06740	141.6
[M+K]+	210.99674	140.6
[M-H]-	171.02630	133.3
[M+Na-2H]-	193.00825	139.7
[M]+	172.03303	135.8
[M]-	172.03413	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe