CID 11031196

30094-32-7

Structural Information

Molecular Formula

C₆H₁₂FO₅P

SMILES

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

InChI

InChI=1S/C6H12FO5P/c1-3-11-13(10,12-4-2)5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

XVVDJXADJFNWAZ-UHFFFAOYSA-N

Compound name

2-diethoxyphosphoryl-2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 214.04063 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]+	215.04791	144.4
[M+Na]+	237.02985	151.1
[M-H]-	213.03335	140.9
[M+NH4]+	232.07445	162.7
[M+K]+	253.00379	151.8
[M+H-H2O]+	197.03789	136.8
[M+HCOO]-	259.03883	168.8
[M+CH3COO]-	273.05448	184.4
[M+Na-2H]-	235.01530	145.5
[M]+	214.04008	148.3
[M]-	214.04118	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe