CID 3057079

Dtxsid80995162

Structural Information

Molecular Formula
C3H3Br3N2
SMILES
C1(NC(=C(N1)Br)Br)Br
InChI
InChI=1S/C3H3Br3N2/c4-1-2(5)8-3(6)7-1/h3,7-8H
InChIKey
GWUGLARBDQXRHX-UHFFFAOYSA-N
Compound name
2,4,5-tribromo-2,3-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

303.78464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.79192 130.0
[M+Na]+ 326.77386 139.0
[M-H]- 302.77736 133.2
[M+NH4]+ 321.81846 145.3
[M+K]+ 342.74780 123.3
[M+H-H2O]+ 286.78190 145.2
[M+HCOO]- 348.78284 138.8
[M+CH3COO]- 362.79849 211.1
[M+Na-2H]- 324.75931 135.6
[M]+ 303.78409 168.2
[M]- 303.78519 168.2
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.