CID 1921605

3-bromopyrazolo[1,5-d][1,2,4]triazin-4(5h)-one

Structural Information

Molecular Formula
C5H3BrN4O
SMILES
C1=NN2C=NNC(=O)C2=C1Br
InChI
InChI=1S/C5H3BrN4O/c6-3-1-8-10-2-7-9-5(11)4(3)10/h1-2H,(H,9,11)
InChIKey
ODADLRMLLFHAEJ-UHFFFAOYSA-N
Compound name
3-bromo-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.94902 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95630 129.4
[M+Na]+ 236.93824 145.6
[M-H]- 212.94174 131.7
[M+NH4]+ 231.98284 149.2
[M+K]+ 252.91218 134.0
[M+H-H2O]+ 196.94628 128.8
[M+HCOO]- 258.94722 149.0
[M+CH3COO]- 272.96287 145.3
[M+Na-2H]- 234.92369 140.3
[M]+ 213.94847 149.3
[M]- 213.94957 149.3
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.