CID 2773382

4,5-diiodo-1h-imidazole

Structural Information

Molecular Formula
C3H2I2N2
SMILES
C1=NC(=C(N1)I)I
InChI
InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
XMWPTVMTXKJONE-UHFFFAOYSA-N
Compound name
4,5-diiodo-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

236
Patents

319.83075 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.83803 123.4
[M+Na]+ 342.81997 118.6
[M-H]- 318.82347 112.5
[M+NH4]+ 337.86457 133.9
[M+K]+ 358.79391 128.6
[M+H-H2O]+ 302.82801 112.0
[M+HCOO]- 364.82895 134.9
[M+CH3COO]- 378.84460 189.7
[M+Na-2H]- 340.80542 113.0
[M]+ 319.83020 117.6
[M]- 319.83130 117.6
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