CID 260489

9-phenyl-3a,4-dihydro-3h-naphtho(2,3-c)furan-1-one

Structural Information

Molecular Formula

C₁₈H₁₄O₂

SMILES

C1C2COC(=O)C2=C(C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C18H14O2/c19-18-17-14(11-20-18)10-13-8-4-5-9-15(13)16(17)12-6-2-1-3-7-12/h1-9,14H,10-11H2

InChIKey

MOXSMBHPLBWSLM-UHFFFAOYSA-N

Compound name

4-phenyl-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.09937 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]+	263.106646	157.4
[M+Na]+	285.088588	166.1
[M-H]-	261.092094	166.7
[M+NH4]+	280.133193	176.5
[M+K]+	301.062528	161.9
[M+H-H2O]+	245.096630	150.4
[M+HCOO]-	307.097571	177.6
[M+CH3COO]-	321.113221	170.3
[M+Na-2H]-	283.074036	162.9
[M]+	262.09882142	157.1
[M]-	262.09991858	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.