CID 24723

Demeton-s

Structural Information

Molecular Formula

C₈H₁₉O₃PS₂

SMILES

CCOP(=O)(OCC)SCCSCC

InChI

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

InChIKey

GRPRVIYRYGLIJU-UHFFFAOYSA-N

Compound name

1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 3
References: 9025
Patents: 258.05133 Da
Monoisotopic Mass: 2.3
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