CID 118424

2-chloro-6-cyanopyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

810
Patents

137.99847 Da
Monoisotopic Mass

1.9
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

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