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

6
Annotation Hits: 167
References: 78501
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]+	199.11174	144.3
[M+Na]+	221.09368	160.0
[M+NH4]+	216.13828	154.6
[M+K]+	237.06762	150.6
[M-H]-	197.09718	150.1
[M+Na-2H]-	219.07913	155.8
[M]+	198.10391	148.4
[M]-	198.10501	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe