CID 5271417

89210-98-0

Structural Information

Molecular Formula

C₁₆H₂₇O₅P

SMILES

CCOP(=O)(CCCCCCOC1=CC=C(C=C1)O)OCC

InChI

InChI=1S/C16H27O5P/c1-3-20-22(18,21-4-2)14-8-6-5-7-13-19-16-11-9-15(17)10-12-16/h9-12,17H,3-8,13-14H2,1-2H3

InChIKey

GOVRUDUDKKLLTQ-UHFFFAOYSA-N

Compound name

4-(6-diethoxyphosphorylhexoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 330.1596 Da
Monoisotopic Mass: 2.9
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]+	331.16688	182.5
[M+Na]+	353.14882	187.0
[M-H]-	329.15232	182.5
[M+NH4]+	348.19342	196.3
[M+K]+	369.12276	185.1
[M+H-H2O]+	313.15686	173.0
[M+HCOO]-	375.15780	207.9
[M+CH3COO]-	389.17345	207.7
[M+Na-2H]-	351.13427	183.1
[M]+	330.15905	190.8
[M]-	330.16015	190.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.