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

87
Patents

265.87616 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.883436 134.9
[M+Na]+ 288.865378 153.3
[M-H]- 264.868884 137.6
[M+NH4]+ 283.909983 154.8
[M+K]+ 304.839318 140.0
[M+H-H2O]+ 248.873420 134.4
[M+HCOO]- 310.874361 145.8
[M+CH3COO]- 324.890011 150.7
[M+Na-2H]- 286.850826 144.5
[M]+ 265.87561142 158.0
[M]- 265.87670858 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