CID 49758022

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

Structural Information

Molecular Formula
C5H2Br2N4
SMILES
C1=C(N2C(=NC=N2)C(=N1)Br)Br
InChI
InChI=1S/C5H2Br2N4/c6-3-1-8-4(7)5-9-2-10-11(3)5/h1-2H
InChIKey
IDWOTLNDEITXRA-UHFFFAOYSA-N
Compound name
5,8-dibromo-[1,2,4]triazolo[1,5-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

275.86462 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.871896 124.6
[M+Na]+ 298.853838 139.4
[M-H]- 274.857344 129.4
[M+NH4]+ 293.898443 143.4
[M+K]+ 314.827778 125.1
[M+H-H2O]+ 258.861880 133.1
[M+HCOO]- 320.862821 140.8
[M+CH3COO]- 334.878471 140.3
[M+Na-2H]- 296.839286 135.9
[M]+ 275.86407142 160.8
[M]- 275.86516858 160.8
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