CID 84251

3-(3-phenoxyphenoxy)phenol

Structural Information

Molecular Formula

C₁₈H₁₄O₃

SMILES

C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=CC(=C3)O

InChI

InChI=1S/C18H14O3/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13,19H

InChIKey

VTEWWGHLESEIEO-UHFFFAOYSA-N

Compound name

3-(3-phenoxyphenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 278.0943 Da
Monoisotopic Mass: 4.6
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]+	279.10158	164.1
[M+Na]+	301.08352	181.1
[M+NH4]+	296.12812	173.3
[M+K]+	317.05746	172.0
[M-H]-	277.08702	171.2
[M+Na-2H]-	299.06897	176.6
[M]+	278.09375	168.8
[M]-	278.09485	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe