CID 69553

653-21-4

Structural Information

Molecular Formula

C₈H₃F₅O₂

SMILES

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

InChI

InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)

InChIKey

LGCODSNZJOVMHV-UHFFFAOYSA-N

Compound name

2-(2,3,4,5,6-pentafluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 483
Patents: 226.00533 Da
Monoisotopic Mass: 1.9
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]+	227.01261	135.6
[M+Na]+	248.99455	147.8
[M-H]-	224.99805	132.9
[M+NH4]+	244.03915	153.9
[M+K]+	264.96849	144.1
[M+H-H2O]+	209.00259	126.6
[M+HCOO]-	271.00353	153.1
[M+CH3COO]-	285.01918	189.7
[M+Na-2H]-	246.98000	136.2
[M]+	226.00478	130.7
[M]-	226.00588	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe