CID 66570682

5-bromo-6-hydroxypicolinic acid

Structural Information

Molecular Formula

C₆H₄BrNO₃

SMILES

C1=C(C(=O)NC(=C1)C(=O)O)Br

InChI

InChI=1S/C6H4BrNO3/c7-3-1-2-4(6(10)11)8-5(3)9/h1-2H,(H,8,9)(H,10,11)

InChIKey

YVVISLCKIQNUDL-UHFFFAOYSA-N

Compound name

5-bromo-6-oxo-1H-pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 216.93745 Da
Monoisotopic Mass: 0.8
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]+	217.94473	133.9
[M+Na]+	239.92667	136.7
[M+NH4]+	234.97127	137.1
[M+K]+	255.90061	138.6
[M-H]-	215.93017	132.1
[M+Na-2H]-	237.91212	136.2
[M]+	216.93690	132.3
[M]-	216.93800	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe