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: 1
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	127.9
[M+Na]+	268.91036	128.5
[M-H]-	244.91386	125.3
[M+NH4]+	263.95496	140.7
[M+K]+	284.88430	135.7
[M+H-H2O]+	228.91840	115.8
[M+HCOO]-	290.91934	141.0
[M+CH3COO]-	304.93499	181.5
[M+Na-2H]-	266.89581	120.8
[M]+	245.92059	135.3
[M]-	245.92169	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe