CID 12645070

5-chloro-3-cyanopyridine

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1Cl)C#N

InChI

InChI=1S/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H

InChIKey

VHVCXRPJVSZARD-UHFFFAOYSA-N

Compound name

5-chloropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 137.99847 Da
Monoisotopic Mass: 1.2
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]+	139.00575	123.7
[M+Na]+	160.98769	138.0
[M+NH4]+	156.03229	129.8
[M+K]+	176.96163	127.9
[M-H]-	136.99119	118.9
[M+Na-2H]-	158.97314	129.8
[M]+	137.99792	123.9
[M]-	137.99902	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe