CID 3607502

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

Structural Information

Molecular Formula
C5H6I2N2
SMILES
CC1=NC(=C(N1C)I)I
InChI
InChI=1S/C5H6I2N2/c1-3-8-4(6)5(7)9(3)2/h1-2H3
InChIKey
CWINQZIAZVITSO-UHFFFAOYSA-N
Compound name
4,5-diiodo-1,2-dimethylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.86203 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.86931 125.7
[M+Na]+ 370.85125 122.2
[M-H]- 346.85475 116.4
[M+NH4]+ 365.89585 136.5
[M+K]+ 386.82519 132.5
[M+H-H2O]+ 330.85929 114.6
[M+HCOO]- 392.86023 138.1
[M+CH3COO]- 406.87588 198.3
[M+Na-2H]- 368.83670 114.3
[M]+ 347.86148 122.7
[M]- 347.86258 122.7
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

No patent data available for this compound.