CID 20520069

1-iodo-2-methanesulfonylethane

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)CCI

InChI

InChI=1S/C3H7IO2S/c1-7(5,6)3-2-4/h2-3H2,1H3

InChIKey

MNZXVIVVEANNOZ-UHFFFAOYSA-N

Compound name

1-iodo-2-methylsulfonylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 233.92114 Da
Monoisotopic Mass: 0.7
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]+	234.92842	133.5
[M+Na]+	256.91036	136.1
[M+NH4]+	251.95496	137.2
[M+K]+	272.88430	133.0
[M-H]-	232.91386	126.1
[M+Na-2H]-	254.89581	124.3
[M]+	233.92059	131.1
[M]-	233.92169	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe