CID 12224

1,2-diiodoethane

Structural Information

Molecular Formula

C₂H₄I₂

SMILES

C(CI)I

InChI

InChI=1S/C2H4I2/c3-1-2-4/h1-2H2

InChIKey

GBBZLMLLFVFKJM-UHFFFAOYSA-N

Compound name

1,2-diiodoethane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 6272
Patents: 281.84024 Da
Monoisotopic Mass: 2.7
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]+	282.847516	121.0
[M+Na]+	304.829458	114.9
[M-H]-	280.832964	110.7
[M+NH4]+	299.874063	133.9
[M+K]+	320.803398	126.6
[M+H-H2O]+	264.837500	111.5
[M+HCOO]-	326.838441	134.0
[M+CH3COO]-	340.854091	188.3
[M+Na-2H]-	302.814906	111.3
[M]+	281.83969142	116.7
[M]-	281.84078858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe