CID 13411112

4-chloro-nicotinonitrile

Structural Information

Molecular Formula
C6H3ClN2
SMILES
C1=CN=CC(=C1Cl)C#N
InChI
InChI=1S/C6H3ClN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKey
QBKPXDUZFDINDV-UHFFFAOYSA-N
Compound name
4-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

137.99847 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe