CID 4618

Oxydemeton-methyl

Structural Information

Molecular Formula

C₆H₁₅O₄PS₂

SMILES

CCS(=O)CCSP(=O)(OC)OC

InChI

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

InChIKey

PMCVMORKVPSKHZ-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 92
References: 20708
Patents: 246.01494 Da
Monoisotopic Mass: -0.7
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]+	247.022216	147.8
[M+Na]+	269.004158	154.1
[M-H]-	245.007664	146.7
[M+NH4]+	264.048763	166.1
[M+K]+	284.978098	152.3
[M+H-H2O]+	229.012200	139.7
[M+HCOO]-	291.013141	164.9
[M+CH3COO]-	305.028791	190.0
[M+Na-2H]-	266.989606	146.2
[M]+	246.01439142	155.8
[M]-	246.01548858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe