CID 111709

Bis(ethylphenyl)ether

Structural Information

Molecular Formula

C₁₆H₁₈O

SMILES

C1=CC=C(C=C1)CCOCCC2=CC=CC=C2

InChI

InChI=1S/C16H18O/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

AMOYMEBHYUTMKJ-UHFFFAOYSA-N

Compound name

2-(2-phenylethoxy)ethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4864
Patents: 226.13577 Da
Monoisotopic Mass: 4.0
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]+	227.143046	152.4
[M+Na]+	249.124988	158.2
[M-H]-	225.128494	158.3
[M+NH4]+	244.169593	170.1
[M+K]+	265.098928	154.3
[M+H-H2O]+	209.133030	144.6
[M+HCOO]-	271.133971	176.4
[M+CH3COO]-	285.149621	190.2
[M+Na-2H]-	247.110436	159.4
[M]+	226.13522142	153.5
[M]-	226.13631858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe