CID 12453928

S,s'-ethylidene dithioacetate

Structural Information

Molecular Formula

C₆H₁₀O₂S₂

SMILES

CC(SC(=O)C)SC(=O)C

InChI

InChI=1S/C6H10O2S2/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3

InChIKey

LYDNSJZGZJIMLH-UHFFFAOYSA-N

Compound name

S-(1-acetylsulfanylethyl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 178.01222 Da
Monoisotopic Mass: 1.6
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]+	179.01950	138.7
[M+Na]+	201.00144	146.7
[M+NH4]+	196.04604	146.4
[M+K]+	216.97538	139.3
[M-H]-	177.00494	137.5
[M+Na-2H]-	198.98689	139.5
[M]+	178.01167	140.1
[M]-	178.01277	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe