CID 10934205

73300-75-1

Structural Information

Molecular Formula

C₇H₁₇O₆PS

SMILES

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

InChI

InChI=1S/C7H17O6PS/c1-4-11-14(8,12-5-2)7-15(9,10)13-6-3/h4-7H2,1-3H3

InChIKey

CXPXCCAOKXGQQZ-UHFFFAOYSA-N

Compound name

ethyl diethoxyphosphorylmethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 260.04834 Da
Monoisotopic Mass: 0.1
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]+	261.05562	153.7
[M+Na]+	283.03756	160.6
[M-H]-	259.04106	152.9
[M+NH4]+	278.08216	171.4
[M+K]+	299.01150	160.7
[M+H-H2O]+	243.04560	146.2
[M+HCOO]-	305.04654	176.2
[M+CH3COO]-	319.06219	191.2
[M+Na-2H]-	281.02301	156.5
[M]+	260.04779	164.2
[M]-	260.04889	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe