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

8
Annotation Hits: 624
References: 62835
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	133.6
[M+Na]+	193.06239	141.2
[M-H]-	169.06589	140.4
[M+NH4]+	188.10699	153.7
[M+K]+	209.03633	138.3
[M+H-H2O]+	153.07043	126.8
[M+HCOO]-	215.07137	159.0
[M+CH3COO]-	229.08702	178.2
[M+Na-2H]-	191.04784	143.0
[M]+	170.07262	133.4
[M]-	170.07372	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe