CID 2777950

2,4,5-trifluorophenylacetic acid

Structural Information

Molecular Formula

C₈H₅F₃O₂

SMILES

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

InChI

InChI=1S/C8H5F3O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)

InChIKey

YSQLGGQUQDTBSL-UHFFFAOYSA-N

Compound name

2-(2,4,5-trifluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 190.02417 Da
Monoisotopic Mass: 1.7
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]+	191.03145	141.5
[M+Na]+	213.01339	151.2
[M+NH4]+	208.05799	146.9
[M+K]+	228.98733	146.2
[M-H]-	189.01689	138.3
[M+Na-2H]-	210.99884	144.8
[M]+	190.02362	141.6
[M]-	190.02472	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe