CID 630554

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

Structural Information

Molecular Formula
C4H4I2N2
SMILES
CC1=NC(=C(N1)I)I
InChI
InChI=1S/C4H4I2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
InChIKey
WFEZOLYJPCODOA-UHFFFAOYSA-N
Compound name
4,5-diiodo-2-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

333.8464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.85368 126.0
[M+Na]+ 356.83562 121.6
[M-H]- 332.83912 115.3
[M+NH4]+ 351.88022 136.2
[M+K]+ 372.80956 131.3
[M+H-H2O]+ 316.84366 114.7
[M+HCOO]- 378.84460 137.3
[M+CH3COO]- 392.86025 193.0
[M+Na-2H]- 354.82107 114.7
[M]+ 333.84585 120.8
[M]- 333.84695 120.8
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