CID 18625682

261952-21-0

Structural Information

Molecular Formula

C₈H₄F₄O₂

SMILES

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

InChI

InChI=1S/C8H4F4O2/c9-4-1-3(2-5(13)14)6(10)8(12)7(4)11/h1H,2H2,(H,13,14)

InChIKey

YCVZGEGNCVLVBM-UHFFFAOYSA-N

Compound name

2-(2,3,4,5-tetrafluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 208.01474 Da
Monoisotopic Mass: 1.8
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]+	209.02202	133.3
[M+Na]+	231.00396	144.6
[M-H]-	207.00746	131.6
[M+NH4]+	226.04856	152.2
[M+K]+	246.97790	141.3
[M+H-H2O]+	191.01200	125.1
[M+HCOO]-	253.01294	152.0
[M+CH3COO]-	267.02859	185.5
[M+Na-2H]-	228.98941	135.3
[M]+	208.01419	129.3
[M]-	208.01529	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe