CID 13346

Demeton-o-methyl

Structural Information

Molecular Formula

C₆H₁₅O₃PS₂

SMILES

CCSCCOP(=S)(OC)OC

InChI

InChI=1S/C6H15O3PS2/c1-4-12-6-5-9-10(11,7-2)8-3/h4-6H2,1-3H3

InChIKey

ZVZQKNVMDKSGGF-UHFFFAOYSA-N

Compound name

2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5359
Patents: 230.02002 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]+	231.02730	145.4
[M+Na]+	253.00924	152.0
[M-H]-	229.01274	144.4
[M+NH4]+	248.05384	164.6
[M+K]+	268.98318	150.0
[M+H-H2O]+	213.01728	137.4
[M+HCOO]-	275.01822	163.1
[M+CH3COO]-	289.03387	188.2
[M+Na-2H]-	250.99469	144.4
[M]+	230.01947	153.4
[M]-	230.02057	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe