CID 12645070

51269-82-0

Structural Information

Molecular Formula
C6H3ClN2
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

160
Patents

137.99847 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00575 122.8
[M+Na]+ 160.98769 134.9
[M-H]- 136.99119 124.9
[M+NH4]+ 156.03229 142.0
[M+K]+ 176.96163 130.8
[M+H-H2O]+ 120.99573 111.0
[M+HCOO]- 182.99667 139.1
[M+CH3COO]- 197.01232 184.4
[M+Na-2H]- 158.97314 131.0
[M]+ 137.99792 119.0
[M]- 137.99902 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe