CID 7657

Benzyl ether

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

C1=CC=C(C=C1)COCC2=CC=CC=C2

InChI

InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

MHDVGSVTJDSBDK-UHFFFAOYSA-N

Compound name

phenylmethoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 167
References: 87717
Patents: 198.10446 Da
Monoisotopic Mass: 3.3
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]+	199.111736	143.1
[M+Na]+	221.093678	149.7
[M-H]-	197.097184	149.4
[M+NH4]+	216.138283	161.9
[M+K]+	237.067618	146.3
[M+H-H2O]+	181.101720	135.8
[M+HCOO]-	243.102661	167.7
[M+CH3COO]-	257.118311	184.2
[M+Na-2H]-	219.079126	151.2
[M]+	198.10391142	143.5
[M]-	198.10500858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe