CID 86346465

4-chloropyridine-2,6-dicarbonitrile

Structural Information

Molecular Formula
C7H2ClN3
SMILES
C1=C(C=C(N=C1C#N)C#N)Cl
InChI
InChI=1S/C7H2ClN3/c8-5-1-6(3-9)11-7(2-5)4-10/h1-2H
InChIKey
OQBWVPUACGCUCO-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,6-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

162.99373 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.001006 141.9
[M+Na]+ 185.982948 153.5
[M-H]- 161.986454 144.5
[M+NH4]+ 181.027553 155.3
[M+K]+ 201.956888 149.4
[M+H-H2O]+ 145.990990 127.2
[M+HCOO]- 207.991931 151.8
[M+CH3COO]- 222.007581 211.1
[M+Na-2H]- 183.968396 145.8
[M]+ 162.99318142 135.1
[M]- 162.99427858 135.1
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