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: 626
References: 68088
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]+	171.080446	133.6
[M+Na]+	193.062388	141.2
[M-H]-	169.065894	140.4
[M+NH4]+	188.106993	153.7
[M+K]+	209.036328	138.3
[M+H-H2O]+	153.070430	126.8
[M+HCOO]-	215.071371	159.0
[M+CH3COO]-	229.087021	178.2
[M+Na-2H]-	191.047836	143.0
[M]+	170.07262142	133.4
[M]-	170.07371858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe