CID 71742827

5,7-dichloropyrido[3,4-b]pyrazine

Structural Information

Molecular Formula
C7H3Cl2N3
SMILES
C1=CN=C2C(=N1)C=C(N=C2Cl)Cl
InChI
InChI=1S/C7H3Cl2N3/c8-5-3-4-6(7(9)12-5)11-2-1-10-4/h1-3H
InChIKey
SNWNPXRUXXCDOM-UHFFFAOYSA-N
Compound name
5,7-dichloropyrido[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

198.9704 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.977676 133.4
[M+Na]+ 221.959618 145.9
[M-H]- 197.963124 133.3
[M+NH4]+ 217.004223 151.1
[M+K]+ 237.933558 140.3
[M+H-H2O]+ 181.967660 126.2
[M+HCOO]- 243.968601 144.4
[M+CH3COO]- 257.984251 146.4
[M+Na-2H]- 219.945066 143.1
[M]+ 198.96985142 136.2
[M]- 198.97094858 136.2
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