CID 11833487

106938-62-9

Structural Information

Molecular Formula

C₆H₁₂F₃O₆PS

SMILES

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

InChI

InChI=1S/C6H12F3O6PS/c1-3-13-16(10,14-4-2)5-15-17(11,12)6(7,8)9/h3-5H2,1-2H3

InChIKey

BNKDGTGYTVFGBY-UHFFFAOYSA-N

Compound name

diethoxyphosphorylmethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 549
Patents: 300.00443 Da
Monoisotopic Mass: 0.9
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]+	301.01171	156.4
[M+Na]+	322.99365	164.1
[M-H]-	298.99715	151.9
[M+NH4]+	318.03825	172.3
[M+K]+	338.96759	163.8
[M+H-H2O]+	283.00169	146.8
[M+HCOO]-	345.00263	174.6
[M+CH3COO]-	359.01828	196.1
[M+Na-2H]-	320.97910	159.6
[M]+	300.00388	162.1
[M]-	300.00498	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe