CID 72212595

1196152-10-9

Structural Information

Molecular Formula

C₆H₄BrNO₃

SMILES

C1=CN=C(C(=C1C(=O)O)O)Br

InChI

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

InChIKey

FGMLGAJKFOKDQZ-UHFFFAOYSA-N

Compound name

2-bromo-3-hydroxypyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.93745 Da
Monoisotopic Mass: 1.6
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]+	217.944726	132.3
[M+Na]+	239.926668	144.6
[M-H]-	215.930174	135.4
[M+NH4]+	234.971273	151.9
[M+K]+	255.900608	133.8
[M+H-H2O]+	199.934710	132.5
[M+HCOO]-	261.935651	151.0
[M+CH3COO]-	275.951301	179.0
[M+Na-2H]-	237.912116	139.5
[M]+	216.93690142	150.2
[M]-	216.93799858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.