CID 72210970

787640-16-8

Structural Information

Molecular Formula

C₇H₄F₃NO₃

SMILES

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

InChI

InChI=1S/C7H4F3NO3/c8-7(9,10)3-1-4(6(13)14)5(12)11-2-3/h1-2H,(H,11,12)(H,13,14)

InChIKey

ZIXFNGYSRCKSBW-UHFFFAOYSA-N

Compound name

2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 207.01433 Da
Monoisotopic Mass: 0.9
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]+	208.02161	143.3
[M+Na]+	230.00355	151.3
[M+NH4]+	225.04815	146.7
[M+K]+	245.97749	148.5
[M-H]-	206.00705	137.4
[M+Na-2H]-	227.98900	145.4
[M]+	207.01378	142.2
[M]-	207.01488	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe