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: 9
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]+	179.019496	135.2
[M+Na]+	201.001438	141.8
[M-H]-	177.004944	135.5
[M+NH4]+	196.046043	155.7
[M+K]+	216.975378	139.9
[M+H-H2O]+	161.009480	130.1
[M+HCOO]-	223.010421	145.1
[M+CH3COO]-	237.026071	179.4
[M+Na-2H]-	198.986886	133.2
[M]+	178.01167142	138.6
[M]-	178.01276858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe