CID 533797

40137-11-9

Structural Information

Molecular Formula

C₆H₁₅O₅PS

SMILES

CCOP(=O)(CS(=O)(=O)C)OCC

InChI

InChI=1S/C6H15O5PS/c1-4-10-12(7,11-5-2)6-13(3,8)9/h4-6H2,1-3H3

InChIKey

DFCKGLGTOXDULU-UHFFFAOYSA-N

Compound name

1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 230.03778 Da
Monoisotopic Mass: -0.3
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]+	231.04506	146.6
[M+Na]+	253.02700	154.2
[M-H]-	229.03050	146.1
[M+NH4]+	248.07160	165.7
[M+K]+	269.00094	154.0
[M+H-H2O]+	213.03504	139.6
[M+HCOO]-	275.03598	169.2
[M+CH3COO]-	289.05163	186.0
[M+Na-2H]-	251.01245	149.4
[M]+	230.03723	155.4
[M]-	230.03833	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe