CID 117523

Demeton-o-methyl sulfoxide

Structural Information

Molecular Formula

C₆H₁₅O₄PS₂

SMILES

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

InChI

InChI=1S/C6H15O4PS2/c1-4-13(7)6-5-10-11(12,8-2)9-3/h4-6H2,1-3H3

InChIKey

QJDBYMAORKAERU-UHFFFAOYSA-N

Compound name

2-ethylsulfinylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.01494 Da
Monoisotopic Mass: 0.6
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]+	247.02222	147.8
[M+Na]+	269.00416	154.1
[M-H]-	245.00766	146.7
[M+NH4]+	264.04876	166.1
[M+K]+	284.97810	152.3
[M+H-H2O]+	229.01220	139.7
[M+HCOO]-	291.01314	164.9
[M+CH3COO]-	305.02879	190.0
[M+Na-2H]-	266.98961	146.2
[M]+	246.01439	155.8
[M]-	246.01549	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe