CID 601645

5-amino-6-chloro-2,3-dicyanopyrazine

Structural Information

Molecular Formula
C6H2ClN5
SMILES
C(#N)C1=C(N=C(C(=N1)N)Cl)C#N
InChI
InChI=1S/C6H2ClN5/c7-5-6(10)12-4(2-9)3(1-8)11-5/h(H2,10,12)
InChIKey
CDKQWBZSAPRZNS-UHFFFAOYSA-N
Compound name
5-amino-6-chloropyrazine-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

178.99988 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00716 144.7
[M+Na]+ 201.98910 155.4
[M-H]- 177.99260 145.5
[M+NH4]+ 197.03370 156.1
[M+K]+ 217.96304 152.5
[M+H-H2O]+ 161.99714 128.9
[M+HCOO]- 223.99808 153.6
[M+CH3COO]- 238.01373 214.4
[M+Na-2H]- 199.97455 147.5
[M]+ 178.99933 136.6
[M]- 179.00043 136.6
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