CID 12907197

5-chloropyrazine-2,3-dicarbonitrile

Structural Information

Molecular Formula
C6HClN4
SMILES
C1=C(N=C(C(=N1)C#N)C#N)Cl
InChI
InChI=1S/C6HClN4/c7-6-3-10-4(1-8)5(2-9)11-6/h3H
InChIKey
XMUYZFOAVMMUNE-UHFFFAOYSA-N
Compound name
5-chloropyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

163.98897 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99625 139.0
[M+Na]+ 186.97819 150.1
[M-H]- 162.98169 140.0
[M+NH4]+ 182.02279 151.1
[M+K]+ 202.95213 146.7
[M+H-H2O]+ 146.98623 123.2
[M+HCOO]- 208.98717 147.8
[M+CH3COO]- 223.00282 210.9
[M+Na-2H]- 184.96364 143.1
[M]+ 163.98842 131.9
[M]- 163.98952 131.9
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

patents stripe