CID 15866980

89167-24-8

Structural Information

Molecular Formula
C5H3BrN4
SMILES
C1=C(C=NC2=NC=NN21)Br
InChI
InChI=1S/C5H3BrN4/c6-4-1-7-5-8-3-9-10(5)2-4/h1-3H
InChIKey
VEPBELSFCORKNT-UHFFFAOYSA-N
Compound name
6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

197.95412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.96140 134.6
[M+Na]+ 220.94334 139.7
[M+NH4]+ 215.98794 139.2
[M+K]+ 236.91728 141.0
[M-H]- 196.94684 133.6
[M+Na-2H]- 218.92879 138.9
[M]+ 197.95357 133.9
[M]- 197.95467 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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