CID 10404

Dixanthogen

Structural Information

Molecular Formula

C₆H₁₀O₂S₄

SMILES

CCOC(=S)SSC(=S)OCC

InChI

InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3

InChIKey

FVIGODVHAVLZOO-UHFFFAOYSA-N

Compound name

O-ethyl (ethoxycarbothioyldisulfanyl)methanethioate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 29
References: 8399
Patents: 241.95636 Da
Monoisotopic Mass: 3.2
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]+	242.963636	149.9
[M+Na]+	264.945578	155.6
[M-H]-	240.949084	147.9
[M+NH4]+	259.990183	166.3
[M+K]+	280.919518	148.2
[M+H-H2O]+	224.953620	143.7
[M+HCOO]-	286.954561	148.0
[M+CH3COO]-	300.970211	189.1
[M+Na-2H]-	262.931026	147.2
[M]+	241.95581142	150.0
[M]-	241.95690858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe