CID 21731055

Diethyl (2,2-difluoroethyl)phosphonate

Structural Information

Molecular Formula

C₆H₁₃F₂O₃P

SMILES

CCOP(=O)(CC(F)F)OCC

InChI

InChI=1S/C6H13F2O3P/c1-3-10-12(9,11-4-2)5-6(7)8/h6H,3-5H2,1-2H3

InChIKey

WMXFVFUDKFMQRL-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-1,1-difluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.05704 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]+	203.06432	143.4
[M+Na]+	225.04626	150.7
[M-H]-	201.04976	139.9
[M+NH4]+	220.09086	163.2
[M+K]+	241.02020	151.0
[M+H-H2O]+	185.05430	134.9
[M+HCOO]-	247.05524	168.6
[M+CH3COO]-	261.07089	185.9
[M+Na-2H]-	223.03171	145.2
[M]+	202.05649	146.5
[M]-	202.05759	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe