CID 17242

Oxydisulfoton

Structural Information

Molecular Formula

C₈H₁₉O₃PS₃

SMILES

CCOP(=S)(OCC)SCCS(=O)CC

InChI

InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3

InChIKey

UPUGLJYNCXXUQV-UHFFFAOYSA-N

Compound name

diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 7
References: 5582
Patents: 290.0234 Da
Monoisotopic Mass: 1.7
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]+	291.03068	157.5
[M+Na]+	313.01262	162.3
[M-H]-	289.01612	155.1
[M+NH4]+	308.05722	173.4
[M+K]+	328.98656	157.4
[M+H-H2O]+	273.02066	148.4
[M+HCOO]-	335.02160	167.6
[M+CH3COO]-	349.03725	199.2
[M+Na-2H]-	310.99807	153.8
[M]+	290.02285	163.2
[M]-	290.02395	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe