CID 16400

Methylacetophos

Structural Information

Molecular Formula

C₆H₁₃O₅PS

SMILES

CCOC(=O)CSP(=O)(OC)OC

InChI

InChI=1S/C6H13O5PS/c1-4-11-6(7)5-13-12(8,9-2)10-3/h4-5H2,1-3H3

InChIKey

LIXQYRZDAFGLSQ-UHFFFAOYSA-N

Compound name

ethyl 2-dimethoxyphosphorylsulfanylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 743
Patents: 228.02213 Da
Monoisotopic Mass: 0.2
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]+	229.02941	148.1
[M+Na]+	251.01135	155.2
[M+NH4]+	246.05595	153.4
[M+K]+	266.98529	150.9
[M-H]-	227.01485	144.5
[M+Na-2H]-	248.99680	148.4
[M]+	228.02158	148.1
[M]-	228.02268	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe