CID 165586959

Sodium (diethoxyphosphoryl)methanesulfinate

Structural Information

Molecular Formula

C₅H₁₃O₅PS

SMILES

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

InChI

InChI=1S/C5H13O5PS/c1-3-9-11(6,10-4-2)5-12(7)8/h3-5H2,1-2H3,(H,7,8)

InChIKey

UGQNRPAFNNGWON-UHFFFAOYSA-N

Compound name

diethoxyphosphorylmethanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.02213 Da
Monoisotopic Mass: -0.5
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]+	217.029406	142.8
[M+Na]+	239.011348	149.5
[M-H]-	215.014854	140.8
[M+NH4]+	234.055953	161.6
[M+K]+	254.985288	149.3
[M+H-H2O]+	199.019390	135.6
[M+HCOO]-	261.020331	164.5
[M+CH3COO]-	275.035981	181.7
[M+Na-2H]-	236.996796	143.3
[M]+	216.02158142	149.9
[M]-	216.02267858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.