CID 9273

Demeton-o

Structural Information

Molecular Formula

C₈H₁₉O₃PS₂

SMILES

CCOP(=S)(OCC)OCCSCC

InChI

InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3

InChIKey

DGLIBALSRMUQDD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4715
Patents: 258.05133 Da
Monoisotopic Mass: 3.0
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]+	259.05861	155.5
[M+Na]+	281.04055	162.6
[M+NH4]+	276.08515	162.2
[M+K]+	297.01449	154.4
[M-H]-	257.04405	153.5
[M+Na-2H]-	279.02600	155.7
[M]+	258.05078	156.6
[M]-	258.05188	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe