CID 165946886

3-bromo-1-(difluoromethyl)-1,4-dihydropyridin-4-one

Structural Information

Molecular Formula

C₆H₄BrF₂NO

SMILES

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

InChI

InChI=1S/C6H4BrF2NO/c7-4-3-10(6(8)9)2-1-5(4)11/h1-3,6H

InChIKey

KIEDKUMUORGDHF-UHFFFAOYSA-N

Compound name

3-bromo-1-(difluoromethyl)pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.94443 Da
Monoisotopic Mass: 2.1
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]+	223.951706	132.8
[M+Na]+	245.933648	146.4
[M-H]-	221.937154	136.1
[M+NH4]+	240.978253	153.8
[M+K]+	261.907588	135.5
[M+H-H2O]+	205.941690	131.4
[M+HCOO]-	267.942631	152.0
[M+CH3COO]-	281.958281	185.1
[M+Na-2H]-	243.919096	139.9
[M]+	222.94388142	149.4
[M]-	222.94497858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.