CID 177798064

3-bromo-1-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₆H₃BrF₃NO

SMILES

C1=CN(C(=O)C(=C1)Br)C(F)(F)F

InChI

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

InChIKey

ZSWKLVKZHPVPOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.93501 Da
Monoisotopic Mass: 2.5
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]+	241.942286	137.9
[M+Na]+	263.924228	152.3
[M-H]-	239.927734	140.1
[M+NH4]+	258.968833	158.3
[M+K]+	279.898168	140.9
[M+H-H2O]+	223.932270	136.0
[M+HCOO]-	285.933211	155.5
[M+CH3COO]-	299.948861	186.6
[M+Na-2H]-	261.909676	145.9
[M]+	240.93446142	153.3
[M]-	240.93555858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.