CID 23340297

75777-49-0

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C5H2F3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)

InChIKey

PWBGZZXJAMGVGQ-UHFFFAOYSA-N

Compound name

3,5,6-trifluoro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 149.00885 Da
Monoisotopic Mass: 0.6
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]+	150.01613	129.1
[M+Na]+	171.99807	139.9
[M+NH4]+	167.04267	134.9
[M+K]+	187.97201	134.6
[M-H]-	148.00157	125.9
[M+Na-2H]-	169.98352	133.6
[M]+	149.00830	129.4
[M]-	149.00940	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe