CID 12544926

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

Structural Information

Molecular Formula

C₄H₄I₂N₂

SMILES

CN1C=C(N=C1I)I

InChI

InChI=1S/C4H4I2N2/c1-8-2-3(5)7-4(8)6/h2H,1H3

InChIKey

OTCXSIMJZBSYBQ-UHFFFAOYSA-N

Compound name

2,4-diiodo-1-methylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.8464 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	334.85368	123.3
[M+Na]+	356.83562	119.3
[M-H]-	332.83912	113.7
[M+NH4]+	351.88022	134.2
[M+K]+	372.80956	129.8
[M+H-H2O]+	316.84366	112.0
[M+HCOO]-	378.84460	135.9
[M+CH3COO]-	392.86025	195.1
[M+Na-2H]-	354.82107	112.7
[M]+	333.84585	119.7
[M]-	333.84695	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.