CID 10986579

2-chloropyridine-3,5-dicarbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

162.99373 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe