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

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe