CID 184894

88738-78-7

Structural Information

Molecular Formula

C₇H₉F₆O₅P

SMILES

COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F

InChI

InChI=1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3

InChIKey

PVSJXEDBEXYLML-UHFFFAOYSA-N

Compound name

methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 913
Patents: 318.0092 Da
Monoisotopic Mass: 1.6
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]+	319.016476	162.1
[M+Na]+	340.998418	170.2
[M-H]-	317.001924	153.9
[M+NH4]+	336.043023	159.2
[M+K]+	356.972358	170.1
[M+H-H2O]+	301.006460	150.7
[M+HCOO]-	363.007401	173.5
[M+CH3COO]-	377.023051	202.2
[M+Na-2H]-	338.983866	164.2
[M]+	318.00865142	160.8
[M]-	318.00974858	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe