CID 117524

Demeton-o-methyl sulfone

Structural Information

Molecular Formula

C₆H₁₅O₅PS₂

SMILES

CCS(=O)(=O)CCOP(=S)(OC)OC

InChI

InChI=1S/C6H15O5PS2/c1-4-14(7,8)6-5-11-12(13,9-2)10-3/h4-6H2,1-3H3

InChIKey

UQNYAMFNNOTGCQ-UHFFFAOYSA-N

Compound name

2-ethylsulfonylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 262.00986 Da
Monoisotopic Mass: 1.0
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]+	263.017136	152.1
[M+Na]+	284.999078	158.9
[M-H]-	261.002584	151.0
[M+NH4]+	280.043683	169.6
[M+K]+	300.973018	157.0
[M+H-H2O]+	245.007120	144.2
[M+HCOO]-	307.008061	169.2
[M+CH3COO]-	321.023711	190.8
[M+Na-2H]-	282.984526	153.0
[M]+	262.00931142	160.8
[M]-	262.01040858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe