CID 66784526

1646842-56-9

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1CS(=O)(=O)NC1C2=CC=CC=C2

InChI

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

InChIKey

QFZHTRYMJCITDV-UHFFFAOYSA-N

Compound name

3-phenyl-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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	139.5
[M+Na]+	220.04028	148.6
[M-H]-	196.04378	144.1
[M+NH4]+	215.08488	161.1
[M+K]+	236.01422	144.9
[M+H-H2O]+	180.04832	134.1
[M+HCOO]-	242.04926	156.6
[M+CH3COO]-	256.06491	152.7
[M+Na-2H]-	218.02573	142.7
[M]+	197.05051	138.2
[M]-	197.05161	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe