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

4
Annotation Hits: 0
References: 5008
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	154.2
[M+Na]+	281.04055	159.9
[M-H]-	257.04405	152.7
[M+NH4]+	276.08515	172.2
[M+K]+	297.01449	157.4
[M+H-H2O]+	241.04859	145.8
[M+HCOO]-	303.04953	171.3
[M+CH3COO]-	317.06518	194.1
[M+Na-2H]-	279.02600	152.3
[M]+	258.05078	162.8
[M]-	258.05188	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe