CID 130829424

6-bromo-n-hydroxypyridine-3-carboxamide

Structural Information

Molecular Formula

C₆H₅BrN₂O₂

SMILES

C1=CC(=NC=C1C(=O)NO)Br

InChI

InChI=1S/C6H5BrN2O2/c7-5-2-1-4(3-8-5)6(10)9-11/h1-3,11H,(H,9,10)

InChIKey

DGTYHTGYOSBTOE-UHFFFAOYSA-N

Compound name

6-bromo-N-hydroxypyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.95345 Da
Monoisotopic Mass: 0.7
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]+	216.960726	133.2
[M+Na]+	238.942668	144.4
[M-H]-	214.946174	137.2
[M+NH4]+	233.987273	153.0
[M+K]+	254.916608	133.6
[M+H-H2O]+	198.950710	132.4
[M+HCOO]-	260.951651	154.1
[M+CH3COO]-	274.967301	182.2
[M+Na-2H]-	236.928116	141.8
[M]+	215.95290142	150.3
[M]-	215.95399858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.