CID 165600261

2731010-66-3

Structural Information

Molecular Formula

C₅H₁₂FO₅PS

SMILES

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

InChI

InChI=1S/C5H12FO5PS/c1-3-10-12(7,11-4-2)5-13(6,8)9/h3-5H2,1-2H3

InChIKey

AOBOQGUEYQKQEY-UHFFFAOYSA-N

Compound name

diethoxyphosphorylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.01271 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]+	235.01999	144.1
[M+Na]+	257.00193	152.1
[M-H]-	233.00543	142.3
[M+NH4]+	252.04653	162.9
[M+K]+	272.97587	151.8
[M+H-H2O]+	217.00997	136.3
[M+HCOO]-	279.01091	166.0
[M+CH3COO]-	293.02656	185.7
[M+Na-2H]-	254.98738	146.9
[M]+	234.01216	151.3
[M]-	234.01326	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.