CID 221769

Bis(2-phenoxyethyl)ether

Structural Information

Molecular Formula

C₁₆H₁₈O₃

SMILES

C1=CC=C(C=C1)OCCOCCOC2=CC=CC=C2

InChI

InChI=1S/C16H18O3/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

PICKZMGDVSSGSC-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxy)ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 809
Patents: 258.12558 Da
Monoisotopic Mass: 3.7
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]+	259.13286	159.1
[M+Na]+	281.11480	164.6
[M-H]-	257.11830	164.9
[M+NH4]+	276.15940	175.2
[M+K]+	297.08874	161.8
[M+H-H2O]+	241.12284	150.7
[M+HCOO]-	303.12378	183.4
[M+CH3COO]-	317.13943	194.1
[M+Na-2H]-	279.10025	166.0
[M]+	258.12503	163.0
[M]-	258.12613	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe