CID 71303816

5-phenyl-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1CNS(=O)(=O)C1C2=CC=CC=C2

InChI

InChI=1S/C9H11NO2S/c11-13(12)9(6-7-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

InChIKey

DXKMEVHNIYSRKM-UHFFFAOYSA-N

Compound name

5-phenyl-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 197.05106 Da
Monoisotopic Mass: 1.0
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]+	198.05834	140.8
[M+Na]+	220.04028	152.1
[M+NH4]+	215.08488	150.7
[M+K]+	236.01422	144.0
[M-H]-	196.04378	143.0
[M+Na-2H]-	218.02573	148.3
[M]+	197.05051	143.5
[M]-	197.05161	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe