CID 84677436

8-bromopyrido[2,3-b]pyrazine

Structural Information

Molecular Formula
C7H4BrN3
SMILES
C1=CN=C2C(=C1Br)N=CC=N2
InChI
InChI=1S/C7H4BrN3/c8-5-1-2-10-7-6(5)9-3-4-11-7/h1-4H
InChIKey
LXEIRRRISIEDID-UHFFFAOYSA-N
Compound name
8-bromopyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.95886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96614 130.8
[M+Na]+ 231.94808 144.5
[M-H]- 207.95158 134.5
[M+NH4]+ 226.99268 150.6
[M+K]+ 247.92202 133.4
[M+H-H2O]+ 191.95612 130.0
[M+HCOO]- 253.95706 149.9
[M+CH3COO]- 267.97271 146.2
[M+Na-2H]- 229.93353 143.8
[M]+ 208.95831 149.5
[M]- 208.95941 149.5
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