CID 68980

1,1-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

1
Annotation Hits: 0
References: 4737
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]+	282.84752	120.1
[M+Na]+	304.82946	113.8
[M-H]-	280.83296	110.0
[M+NH4]+	299.87406	132.9
[M+K]+	320.80340	125.8
[M+H-H2O]+	264.83750	110.6
[M+HCOO]-	326.83844	132.3
[M+CH3COO]-	340.85409	188.9
[M+Na-2H]-	302.81491	109.4
[M]+	281.83969	115.3
[M]-	281.84079	115.3

Literature stripe

literature stripe

Patent stripe

patents stripe