CID 289042

2,3-diamino-5,6-dichloropyrazine

Structural Information

Molecular Formula
C4H4Cl2N4
SMILES
C1(=C(N=C(C(=N1)Cl)Cl)N)N
InChI
InChI=1S/C4H4Cl2N4/c5-1-2(6)10-4(8)3(7)9-1/h(H2,7,9)(H2,8,10)
InChIKey
AARIMSUCMQEYOO-UHFFFAOYSA-N
Compound name
5,6-dichloropyrazine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

177.98131 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.98859 132.0
[M+Na]+ 200.97053 143.5
[M-H]- 176.97403 132.1
[M+NH4]+ 196.01513 150.1
[M+K]+ 216.94447 138.5
[M+H-H2O]+ 160.97857 126.7
[M+HCOO]- 222.97951 146.4
[M+CH3COO]- 236.99516 182.2
[M+Na-2H]- 198.95598 137.7
[M]+ 177.98076 131.4
[M]- 177.98186 131.4
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