CID 127263633

1805515-24-5

Structural Information

Molecular Formula

SMILES

C1=CNC(=O)C(=C1F)Br

InChI

InChI=1S/C5H3BrFNO/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H,8,9)

InChIKey

IZOIZTRZNFZALX-UHFFFAOYSA-N

Compound name

3-bromo-4-fluoro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.9382 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]+	191.945476	125.1
[M+Na]+	213.927418	138.9
[M-H]-	189.930924	128.4
[M+NH4]+	208.972023	146.7
[M+K]+	229.901358	127.4
[M+H-H2O]+	173.935460	124.9
[M+HCOO]-	235.936401	145.1
[M+CH3COO]-	249.952051	176.4
[M+Na-2H]-	211.912866	134.0
[M]+	190.93765142	141.3
[M]-	190.93874858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe