CID 89981

23052-55-3

Structural Information

Molecular Formula

C₈H₁₉O₅PS

SMILES

CCOP(=O)(OCC)OCCS(=O)CC

InChI

InChI=1S/C8H19O5PS/c1-4-11-14(9,12-5-2)13-7-8-15(10)6-3/h4-8H2,1-3H3

InChIKey

PNLYZBMNZPMLRI-UHFFFAOYSA-N

Compound name

diethyl 2-ethylsulfinylethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0691 Da
Monoisotopic Mass: -0.4
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]+	259.07638	155.8
[M+Na]+	281.05832	161.7
[M-H]-	257.06182	154.7
[M+NH4]+	276.10292	173.7
[M+K]+	297.03226	161.7
[M+H-H2O]+	241.06636	147.9
[M+HCOO]-	303.06730	178.1
[M+CH3COO]-	317.08295	193.3
[M+Na-2H]-	279.04377	155.4
[M]+	258.06855	166.0
[M]-	258.06965	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.