CID 3863567

209991-64-0

Structural Information

Molecular Formula

C₉H₆F₄O₂

SMILES

C1=CC(=C(C=C1C(F)(F)F)F)CC(=O)O

InChI

InChI=1S/C9H6F4O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)

InChIKey

LUIOBGWYVHPKRC-UHFFFAOYSA-N

Compound name

2-[2-fluoro-4-(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 222.0304 Da
Monoisotopic Mass: 2.4
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]+	223.03768	152.9
[M+Na]+	245.01962	160.4
[M+NH4]+	240.06422	156.8
[M+K]+	260.99356	156.2
[M-H]-	221.02312	147.7
[M+Na-2H]-	243.00507	154.9
[M]+	222.02985	152.1
[M]-	222.03095	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe