CID 72207721

7-bromo-4-chloroimidazo[2,1-f][1,2,4]triazine

Structural Information

Molecular Formula
C5H2BrClN4
SMILES
C1=C(N2C(=N1)C(=NC=N2)Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-3-1-8-5-4(7)9-2-10-11(3)5/h1-2H
InChIKey
RRXLWAFFBIFFKO-UHFFFAOYSA-N
Compound name
7-bromo-4-chloroimidazo[2,1-f][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91515 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.922426 130.8
[M+Na]+ 254.904368 148.2
[M-H]- 230.907874 134.1
[M+NH4]+ 249.948973 151.5
[M+K]+ 270.878308 136.0
[M+H-H2O]+ 214.912410 130.2
[M+HCOO]- 276.913351 146.9
[M+CH3COO]- 290.929001 147.1
[M+Na-2H]- 252.889816 141.9
[M]+ 231.91460142 153.3
[M]- 231.91569858 153.3
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.