CID 87457307

1805210-07-4

Structural Information

Molecular Formula

C₆H₂BrClN₂

SMILES

C1=CN=C(C(=C1Cl)C#N)Br

InChI

InChI=1S/C6H2BrClN2/c7-6-4(3-9)5(8)1-2-10-6/h1-2H

InChIKey

KQYPMSLGPZWRDU-UHFFFAOYSA-N

Compound name

2-bromo-4-chloropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.909 Da
Monoisotopic Mass: 2.2
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]+	216.91628	133.7
[M+Na]+	238.89822	139.5
[M+NH4]+	233.94282	136.6
[M+K]+	254.87216	135.5
[M-H]-	214.90172	128.4
[M+Na-2H]-	236.88367	136.6
[M]+	215.90845	131.6
[M]-	215.90955	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe