CID 13491780

76041-79-7

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=C(C(=O)NC=C1Br)C(F)(F)F

InChI

InChI=1S/C6H3BrF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)

InChIKey

OPLCXLXORZDTMX-UHFFFAOYSA-N

Compound name

5-bromo-3-(trifluoromethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 240.93501 Da
Monoisotopic Mass: 1.5
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]+	241.94229	149.7
[M+Na]+	263.92423	151.2
[M+NH4]+	258.96883	151.8
[M+K]+	279.89817	151.6
[M-H]-	239.92773	145.1
[M+Na-2H]-	261.90968	150.6
[M]+	240.93446	147.2
[M]-	240.93556	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe