CID 71387577

Dimethyl (2,2-difluoroethyl)phosphonate

Structural Information

Molecular Formula

C₄H₉F₂O₃P

SMILES

COP(=O)(CC(F)F)OC

InChI

InChI=1S/C4H9F2O3P/c1-8-10(7,9-2)3-4(5)6/h4H,3H2,1-2H3

InChIKey

AWDOGWHKYSWWBW-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphoryl-1,1-difluoroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 174.02574 Da
Monoisotopic Mass: 0.3
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]+	175.03302	133.6
[M+Na]+	197.01496	141.7
[M-H]-	173.01846	130.4
[M+NH4]+	192.05956	154.5
[M+K]+	212.98890	142.5
[M+H-H2O]+	157.02300	125.5
[M+HCOO]-	219.02394	159.4
[M+CH3COO]-	233.03959	179.8
[M+Na-2H]-	195.00041	136.5
[M]+	174.02519	135.9
[M]-	174.02629	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe