CID 124148176

7-bromo-3-chloro-5h-pyrrolo[2,3-b]pyrazine

Structural Information

Molecular Formula
C6H3BrClN3
SMILES
C1=C(C2=NC=C(N=C2N1)Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-3-1-10-6-5(3)9-2-4(8)11-6/h1-2H,(H,10,11)
InChIKey
FPUUGLZSKOWTSU-UHFFFAOYSA-N
Compound name
7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

230.91989 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.927166 133.5
[M+Na]+ 253.909108 150.0
[M-H]- 229.912614 136.6
[M+NH4]+ 248.953713 154.8
[M+K]+ 269.883048 136.7
[M+H-H2O]+ 213.917150 133.6
[M+HCOO]- 275.918091 149.1
[M+CH3COO]- 289.933741 149.3
[M+Na-2H]- 251.894556 143.5
[M]+ 230.91934142 154.1
[M]- 230.92043858 154.1
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