CID 101271

53575-08-9

Structural Information

Molecular Formula

C₁₅H₁₉O₃P

SMILES

CCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC

InChI

InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3

InChIKey

AFNZPMQIKMSUTD-UHFFFAOYSA-N

Compound name

1-(diethoxyphosphorylmethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 93
Patents: 278.10718 Da
Monoisotopic Mass: 3.0
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]+	279.11446	163.7
[M+Na]+	301.09640	176.4
[M+NH4]+	296.14100	171.6
[M+K]+	317.07034	169.2
[M-H]-	277.09990	165.4
[M+Na-2H]-	299.08185	169.8
[M]+	278.10663	166.0
[M]-	278.10773	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe