CID 86708472

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

Structural Information

Molecular Formula
C5HBrCl2N4
SMILES
C1=C(N2C(=N1)C(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C5HBrCl2N4/c6-2-1-9-4-3(7)10-5(8)11-12(2)4/h1H
InChIKey
XWISIRUFGYQLSR-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloroimidazo[2,1-f][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

265.87616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.88344 134.9
[M+Na]+ 288.86538 153.3
[M-H]- 264.86888 137.6
[M+NH4]+ 283.90998 154.8
[M+K]+ 304.83932 140.0
[M+H-H2O]+ 248.87342 134.4
[M+HCOO]- 310.87436 145.8
[M+CH3COO]- 324.89001 150.7
[M+Na-2H]- 286.85083 144.5
[M]+ 265.87561 158.0
[M]- 265.87671 158.0
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