CID 136562

1,3-diphenoxypropane

Structural Information

Molecular Formula

C₁₅H₁₆O₂

SMILES

C1=CC=C(C=C1)OCCCOC2=CC=CC=C2

InChI

InChI=1S/C15H16O2/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

InChIKey

HZIVULLSUOJNPX-UHFFFAOYSA-N

Compound name

3-phenoxypropoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 457
Patents: 228.11504 Da
Monoisotopic Mass: 4.2
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]+	229.12232	152.3
[M+Na]+	251.10426	167.2
[M+NH4]+	246.14886	161.7
[M+K]+	267.07820	158.1
[M-H]-	227.10776	157.4
[M+Na-2H]-	249.08971	162.9
[M]+	228.11449	156.0
[M]-	228.11559	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe