CID 84705501

1784319-34-1

Structural Information

Molecular Formula

SMILES

C1C(CS1(=O)=O)CI

InChI

InChI=1S/C4H7IO2S/c5-1-4-2-8(6,7)3-4/h4H,1-3H2

InChIKey

ANKHRTCLHAZGOL-UHFFFAOYSA-N

Compound name

3-(iodomethyl)thietane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.92114 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]+	246.92842	130.3
[M+Na]+	268.91036	129.5
[M+NH4]+	263.95496	132.3
[M+K]+	284.88430	126.4
[M-H]-	244.91386	122.6
[M+Na-2H]-	266.89581	121.9
[M]+	245.92059	126.3
[M]-	245.92169	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.