CID 112757149

8-bromo-5-chloropyrido[3,4-b]pyrazine

Structural Information

Molecular Formula
C7H3BrClN3
SMILES
C1=CN=C2C(=N1)C(=CN=C2Cl)Br
InChI
InChI=1S/C7H3BrClN3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H
InChIKey
ZSTKKKPXYZGKPI-UHFFFAOYSA-N
Compound name
8-bromo-5-chloropyrido[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.91989 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.92717 134.7
[M+Na]+ 265.90911 150.1
[M-H]- 241.91261 138.4
[M+NH4]+ 260.95371 154.3
[M+K]+ 281.88305 137.3
[M+H-H2O]+ 225.91715 134.3
[M+HCOO]- 287.91809 149.2
[M+CH3COO]- 301.93374 150.1
[M+Na-2H]- 263.89456 146.6
[M]+ 242.91934 155.4
[M]- 242.92044 155.4
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