CID 87241

4-phenylthiomorpholine 1,1-dioxide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CS(=O)(=O)CCN1C2=CC=CC=C2

InChI

InChI=1S/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

OLQHDKQJHKZUNN-UHFFFAOYSA-N

Compound name

4-phenyl-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 78
Patents: 211.0667 Da
Monoisotopic Mass: 0.9
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]+	212.07398	143.6
[M+Na]+	234.05592	156.5
[M+NH4]+	229.10052	154.0
[M+K]+	250.02986	145.8
[M-H]-	210.05942	147.2
[M+Na-2H]-	232.04137	152.7
[M]+	211.06615	147.0
[M]-	211.06725	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe