CID 13411112

4-chloronicotinonitrile

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

481
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 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
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

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