CID 54734254

5-bromo-4-hydroxypyridin-2(1h)-one

Structural Information

Molecular Formula

C₅H₄BrNO₂

SMILES

C1=C(C(=CNC1=O)Br)O

InChI

InChI=1S/C5H4BrNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)

InChIKey

RILZSVFBALMCGA-UHFFFAOYSA-N

Compound name

5-bromo-4-hydroxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 188.94254 Da
Monoisotopic Mass: 0.0
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	128.5
[M+Na]+	211.93176	132.2
[M+NH4]+	206.97636	132.7
[M+K]+	227.90570	133.2
[M-H]-	187.93526	127.6
[M+Na-2H]-	209.91721	131.8
[M]+	188.94199	127.4
[M]-	188.94309	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe