CID 203366

14227-19-1

Structural Information

Molecular Formula

C₉H₁₀OS₂

SMILES

CC1=CC=C(C=C1)SSC(=O)C

InChI

InChI=1S/C9H10OS2/c1-7-3-5-9(6-4-7)12-11-8(2)10/h3-6H,1-2H3

InChIKey

MWBSATMSRDPDDN-UHFFFAOYSA-N

Compound name

S-(4-methylphenyl)sulfanyl ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.0173 Da
Monoisotopic Mass: 2.6
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]+	199.02458	139.6
[M+Na]+	221.00652	151.7
[M+NH4]+	216.05112	149.3
[M+K]+	236.98046	141.4
[M-H]-	197.01002	142.5
[M+Na-2H]-	218.99197	145.2
[M]+	198.01675	143.2
[M]-	198.01785	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.