CID 15115

Dimexano

Structural Information

Molecular Formula

C₄H₆O₂S₄

SMILES

COC(=S)SSC(=S)OC

InChI

InChI=1S/C4H6O2S4/c1-5-3(7)9-10-4(8)6-2/h1-2H3

InChIKey

FVCPXLWAKNJIKK-UHFFFAOYSA-N

Compound name

O-methyl (methoxycarbothioyldisulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7541
Patents: 213.92506 Da
Monoisotopic Mass: 2.5
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]+	214.93234	142.6
[M+Na]+	236.91428	149.0
[M-H]-	212.91778	140.8
[M+NH4]+	231.95888	159.9
[M+K]+	252.88822	142.1
[M+H-H2O]+	196.92232	136.6
[M+HCOO]-	258.92326	141.1
[M+CH3COO]-	272.93891	183.7
[M+Na-2H]-	234.89973	140.4
[M]+	213.92451	142.0
[M]-	213.92561	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe