CID 81220

2-phenoxybiphenyl

Structural Information

Molecular Formula

C₁₈H₁₄O

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C18H14O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-14H

InChIKey

UHJWZORSTYATLW-UHFFFAOYSA-N

Compound name

1-phenoxy-2-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 610
Patents: 246.10446 Da
Monoisotopic Mass: 4.8
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]+	247.111736	155.5
[M+Na]+	269.093678	162.7
[M-H]-	245.097184	165.0
[M+NH4]+	264.138283	172.0
[M+K]+	285.067618	157.7
[M+H-H2O]+	229.101720	146.8
[M+HCOO]-	291.102661	180.0
[M+CH3COO]-	305.118311	168.2
[M+Na-2H]-	267.079126	163.1
[M]+	246.10391142	154.9
[M]-	246.10500858	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe