CID 68980

Diiodoethane

Structural Information

Molecular Formula

C₂H₄I₂

SMILES

CC(I)I

InChI

InChI=1S/C2H4I2/c1-2(3)4/h2H,1H3

InChIKey

JNVXRQOSRUDXDY-UHFFFAOYSA-N

Compound name

1,1-diiodoethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 53
References: 4798
Patents: 281.84024 Da
Monoisotopic Mass: 2.5
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	120.1
[M+Na]+	304.829458	113.8
[M-H]-	280.832964	110.0
[M+NH4]+	299.874063	132.9
[M+K]+	320.803398	125.8
[M+H-H2O]+	264.837500	110.6
[M+HCOO]-	326.838441	132.3
[M+CH3COO]-	340.854091	188.9
[M+Na-2H]-	302.814906	109.4
[M]+	281.83969142	115.3
[M]-	281.84078858	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe