CID 108637

Benzyl 2-phenylethyl ether

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

C1=CC=C(C=C1)CCOCC2=CC=CC=C2

InChI

InChI=1S/C15H16O/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10H,11-13H2

InChIKey

MTWBNQBGOBEJKB-UHFFFAOYSA-N

Compound name

2-phenylethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 153
Patents: 212.12012 Da
Monoisotopic Mass: 3.5
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]+	213.12740	147.7
[M+Na]+	235.10934	153.9
[M-H]-	211.11284	153.9
[M+NH4]+	230.15394	166.0
[M+K]+	251.08328	150.3
[M+H-H2O]+	195.11738	140.2
[M+HCOO]-	257.11832	172.1
[M+CH3COO]-	271.13397	187.2
[M+Na-2H]-	233.09479	155.3
[M]+	212.11957	148.5
[M]-	212.12067	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe