CID 82397985

8-bromo-[1,2,4]triazolo[1,5-a]pyrazine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=CN2C(=NC=N2)C(=N1)Br
InChI
InChI=1S/C5H3BrN4/c6-4-5-8-3-9-10(5)2-1-7-4/h1-3H
InChIKey
KCKXFKKYHUURSX-UHFFFAOYSA-N
Compound name
8-bromo-[1,2,4]triazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.95412 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 126.4
[M+Na]+ 220.94334 142.2
[M-H]- 196.94684 129.7
[M+NH4]+ 215.98794 147.4
[M+K]+ 236.91728 131.7
[M+H-H2O]+ 180.95138 125.6
[M+HCOO]- 242.95232 147.2
[M+CH3COO]- 256.96797 142.8
[M+Na-2H]- 218.92879 138.6
[M]+ 197.95357 147.1
[M]- 197.95467 147.1
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

No patent data available for this compound.