CID 4568496

156748-67-3

Structural Information

Molecular Formula

C₆H₁₂F₃O₄P

SMILES

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

InChI

InChI=1S/C6H12F3O4P/c1-3-12-14(11,13-4-2)5(10)6(7,8)9/h5,10H,3-4H2,1-2H3

InChIKey

ZVRKPNJLSIJXPF-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-2,2,2-trifluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 236.04253 Da
Monoisotopic Mass: 0.8
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]+	237.04981	149.5
[M+Na]+	259.03175	156.8
[M-H]-	235.03525	143.5
[M+NH4]+	254.07635	167.2
[M+K]+	275.00569	156.7
[M+H-H2O]+	219.03979	140.7
[M+HCOO]-	281.04073	170.8
[M+CH3COO]-	295.05638	187.8
[M+Na-2H]-	257.01720	151.5
[M]+	236.04198	150.1
[M]-	236.04308	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe