CID 4318753

151453-21-3

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

C1CC2=C(C=C(C=C2)OC3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C16H14O2/c17-16-8-4-5-12-9-10-14(11-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,9-11H,4-5,8H2

InChIKey

ZFOLQUQHELUVNU-UHFFFAOYSA-N

Compound name

7-phenoxy-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 238.09938 Da
Monoisotopic Mass: 3.6
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]+	239.10666	151.6
[M+Na]+	261.08860	158.7
[M-H]-	237.09210	158.8
[M+NH4]+	256.13320	169.8
[M+K]+	277.06254	154.5
[M+H-H2O]+	221.09664	143.8
[M+HCOO]-	283.09758	172.8
[M+CH3COO]-	297.11323	164.0
[M+Na-2H]-	259.07405	158.3
[M]+	238.09883	150.0
[M]-	238.09993	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe