CID 58512151

858822-85-2

Structural Information

Molecular Formula

SMILES

C1CS(=O)(=O)CCC1I

InChI

InChI=1S/C5H9IO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4H2

InChIKey

IOXKSWHPUFIKCI-UHFFFAOYSA-N

Compound name

4-iodothiane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 259.9368 Da
Monoisotopic Mass: 1.1
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]+	260.94408	134.2
[M+Na]+	282.92602	135.1
[M-H]-	258.92952	131.0
[M+NH4]+	277.97062	152.6
[M+K]+	298.89996	139.6
[M+H-H2O]+	242.93406	126.5
[M+HCOO]-	304.93500	146.2
[M+CH3COO]-	318.95065	179.3
[M+Na-2H]-	280.91147	126.6
[M]+	259.93625	130.4
[M]-	259.93735	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe