CID 18948789

55160-66-2

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

C1CS(=O)(=O)CCN1CCCl

InChI

InChI=1S/C6H12ClNO2S/c7-1-2-8-3-5-11(9,10)6-4-8/h1-6H2

InChIKey

KWGFISNERABFPJ-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 197.02773 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]+	198.03501	138.2
[M+Na]+	220.01695	149.5
[M+NH4]+	215.06155	148.1
[M+K]+	235.99089	139.5
[M-H]-	196.02045	139.0
[M+Na-2H]-	218.00240	144.0
[M]+	197.02718	140.8
[M]-	197.02828	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe