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

32
Patents

275.86462 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.87190 124.6
[M+Na]+ 298.85384 139.4
[M-H]- 274.85734 129.4
[M+NH4]+ 293.89844 143.4
[M+K]+ 314.82778 125.1
[M+H-H2O]+ 258.86188 133.1
[M+HCOO]- 320.86282 140.8
[M+CH3COO]- 334.87847 140.3
[M+Na-2H]- 296.83929 135.9
[M]+ 275.86407 160.8
[M]- 275.86517 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