CID 16743266

380894-77-9

Structural Information

Molecular Formula

C₁₆H₁₉FNO₃P

SMILES

CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC

InChI

InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3

InChIKey

CPOPYWOLIYKTLP-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 323.10867 Da
Monoisotopic Mass: 2.4
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]+	324.11595	175.4
[M+Na]+	346.09789	187.7
[M+NH4]+	341.14249	181.2
[M+K]+	362.07183	181.0
[M-H]-	322.10139	176.3
[M+Na-2H]-	344.08334	182.3
[M]+	323.10812	177.3
[M]-	323.10922	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe