CID 168181558

Schembl31074219

Structural Information

Molecular Formula

C₆H₁₄FO₅PS

SMILES

CCOP(=O)(C(F)S(=O)(=O)C)OCC

InChI

InChI=1S/C6H14FO5PS/c1-4-11-13(8,12-5-2)6(7)14(3,9)10/h6H,4-5H2,1-3H3

InChIKey

JCVZZZNHDUFXQX-UHFFFAOYSA-N

Compound name

1-[ethoxy-[fluoro(methylsulfonyl)methyl]phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.02837 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]+	249.03565	148.1
[M+Na]+	271.01759	155.4
[M-H]-	247.02109	146.2
[M+NH4]+	266.06219	166.3
[M+K]+	286.99153	155.4
[M+H-H2O]+	231.02563	140.2
[M+HCOO]-	293.02657	168.7
[M+CH3COO]-	307.04222	189.5
[M+Na-2H]-	269.00304	149.5
[M]+	248.02782	155.1
[M]-	248.02892	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe