CID 139026290

7-bromo-[1,2,4]triazolo[4,3-c]pyrimidine

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C(N=CN2C1=NN=C2)Br
InChI
InChI=1S/C5H3BrN4/c6-4-1-5-9-8-3-10(5)2-7-4/h1-3H
InChIKey
KLSAMOHNXOKOEK-UHFFFAOYSA-N
Compound name
7-bromo-[1,2,4]triazolo[4,3-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.95412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.961396 126.4
[M+Na]+ 220.943338 142.2
[M-H]- 196.946844 129.7
[M+NH4]+ 215.987943 147.4
[M+K]+ 236.917278 131.7
[M+H-H2O]+ 180.951380 125.6
[M+HCOO]- 242.952321 147.2
[M+CH3COO]- 256.967971 142.8
[M+Na-2H]- 218.928786 138.6
[M]+ 197.95357142 147.1
[M]- 197.95466858 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

patents stripe