CID 303178

4,5-dibromo-1,2-dimethyl-1h-imidazole

Structural Information

Molecular Formula
C5H6Br2N2
SMILES
CC1=NC(=C(N1C)Br)Br
InChI
InChI=1S/C5H6Br2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
InChIKey
IRPMMLNFWNJAMH-UHFFFAOYSA-N
Compound name
4,5-dibromo-1,2-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

251.88977 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.89705 128.2
[M+Na]+ 274.87899 142.1
[M-H]- 250.88249 134.0
[M+NH4]+ 269.92359 149.1
[M+K]+ 290.85293 127.4
[M+H-H2O]+ 234.88703 136.5
[M+HCOO]- 296.88797 144.9
[M+CH3COO]- 310.90362 197.6
[M+Na-2H]- 272.86444 135.5
[M]+ 251.88922 163.3
[M]- 251.89032 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe