CID 361774

14204-24-1

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

C1CC(=O)N(C1=O)SC2=CC=CC=C2

InChI

InChI=1S/C10H9NO2S/c12-9-6-7-10(13)11(9)14-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

SCAKFUJVCFIFOX-UHFFFAOYSA-N

Compound name

1-phenylsulfanylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 207.0354 Da
Monoisotopic Mass: 1.1
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]+	208.04268	142.8
[M+Na]+	230.02462	151.9
[M-H]-	206.02812	148.8
[M+NH4]+	225.06922	162.9
[M+K]+	245.99856	148.6
[M+H-H2O]+	190.03266	136.4
[M+HCOO]-	252.03360	161.0
[M+CH3COO]-	266.04925	181.6
[M+Na-2H]-	228.01007	143.8
[M]+	207.03485	143.6
[M]-	207.03595	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe