CID 7583

Diphenyl ether

Structural Information

Molecular Formula

C₁₂H₁₀O

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey

USIUVYZYUHIAEV-UHFFFAOYSA-N

Compound name

phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 623
References: 139516
Patents: 170.07317 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]+	171.08045	135.1
[M+Na]+	193.06239	151.2
[M+NH4]+	188.10699	145.7
[M+K]+	209.03633	142.3
[M-H]-	169.06589	140.9
[M+Na-2H]-	191.04784	147.1
[M]+	170.07262	139.3
[M]-	170.07372	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe