CID 265636

15953-83-0

Structural Information

Molecular Formula

C₃H₅ClO₂S

SMILES

C1C(CS1(=O)=O)Cl

InChI

InChI=1S/C3H5ClO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2

InChIKey

MHGRPTSHTMXAKQ-UHFFFAOYSA-N

Compound name

3-chlorothietane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 139.96988 Da
Monoisotopic Mass: 0.0
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]+	140.97716	114.6
[M+Na]+	162.95910	122.0
[M+NH4]+	158.00370	121.3
[M+K]+	178.93304	115.4
[M-H]-	138.96260	112.9
[M+Na-2H]-	160.94455	119.0
[M]+	139.96933	114.8
[M]-	139.97043	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe