CID 54734254

Dtxsid301295996

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: 20
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]+	189.949816	125.3
[M+Na]+	211.931758	138.5
[M-H]-	187.935264	128.6
[M+NH4]+	206.976363	146.3
[M+K]+	227.905698	126.9
[M+H-H2O]+	171.939800	125.9
[M+HCOO]-	233.940741	145.1
[M+CH3COO]-	247.956391	173.4
[M+Na-2H]-	209.917206	134.2
[M]+	188.94199142	142.1
[M]-	188.94308858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe