CID 70352

Benzyl phenyl ether

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

BOTNYLSAWDQNEX-UHFFFAOYSA-N

Compound name

phenoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 34
References: 18685
Patents: 184.08882 Da
Monoisotopic Mass: 3.8
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]+	185.09610	138.4
[M+Na]+	207.07804	145.5
[M-H]-	183.08154	144.9
[M+NH4]+	202.12264	157.8
[M+K]+	223.05198	142.3
[M+H-H2O]+	167.08608	131.3
[M+HCOO]-	229.08702	163.4
[M+CH3COO]-	243.10267	181.2
[M+Na-2H]-	205.06349	147.1
[M]+	184.08827	138.5
[M]-	184.08937	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe