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: 19
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]+	239.106656	151.6
[M+Na]+	261.088598	158.7
[M-H]-	237.092104	158.8
[M+NH4]+	256.133203	169.8
[M+K]+	277.062538	154.5
[M+H-H2O]+	221.096640	143.8
[M+HCOO]-	283.097581	172.8
[M+CH3COO]-	297.113231	164.0
[M+Na-2H]-	259.074046	158.3
[M]+	238.09883142	150.0
[M]-	238.09992858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe