CID 103303125

1702443-94-4

Structural Information

Molecular Formula

C₈H₃F₃O₃

SMILES

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

InChI

InChI=1S/C8H3F3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2H,(H,13,14)

InChIKey

HQQLBQOJXWZVBX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.00343 Da
Monoisotopic Mass: 1.6
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]+	205.01071	144.1
[M+Na]+	226.99265	153.0
[M+NH4]+	222.03725	148.5
[M+K]+	242.96659	149.2
[M-H]-	202.99615	139.9
[M+Na-2H]-	224.97810	146.5
[M]+	204.00288	143.7
[M]-	204.00398	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe