CID 12563083

5-bromopyridine-2,3-diol

Structural Information

Molecular Formula

C₅H₄BrNO₂

SMILES

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

InChI

InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)

InChIKey

KXBXUHWCODHRHK-UHFFFAOYSA-N

Compound name

5-bromo-3-hydroxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 305
Patents: 188.94254 Da
Monoisotopic Mass: 0.5
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]+	189.94982	125.3
[M+Na]+	211.93176	138.5
[M-H]-	187.93526	128.6
[M+NH4]+	206.97636	146.3
[M+K]+	227.90570	126.9
[M+H-H2O]+	171.93980	125.9
[M+HCOO]-	233.94074	145.1
[M+CH3COO]-	247.95639	173.4
[M+Na-2H]-	209.91721	134.2
[M]+	188.94199	142.1
[M]-	188.94309	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe