CID 23088708

727737-00-0

Structural Information

Molecular Formula

C₆H₃BrN₂O

SMILES

C1=CC(=NC(=C1O)C#N)Br

InChI

InChI=1S/C6H3BrN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H

InChIKey

LBUCAVGFSDCKGK-UHFFFAOYSA-N

Compound name

6-bromo-3-hydroxypyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 197.94289 Da
Monoisotopic Mass: 2.1
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]+	198.95017	126.0
[M+Na]+	220.93211	140.5
[M-H]-	196.93561	128.7
[M+NH4]+	215.97671	145.0
[M+K]+	236.90605	129.5
[M+H-H2O]+	180.94015	119.4
[M+HCOO]-	242.94109	145.4
[M+CH3COO]-	256.95674	190.8
[M+Na-2H]-	218.91756	134.6
[M]+	197.94234	137.5
[M]-	197.94344	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe