CID 1284614

Schembl30468930

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

CC1(CC(C1)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C20H18O2/c1-20(16-8-3-2-4-9-16)12-15(13-20)19(21)18-11-14-7-5-6-10-17(14)22-18/h2-11,15H,12-13H2,1H3

InChIKey

WPIBACNNJNEBAO-UHFFFAOYSA-N

Compound name

1-benzofuran-2-yl-(3-methyl-3-phenylcyclobutyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 290.13068 Da
Monoisotopic Mass: 5.1
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]+	291.13796	163.3
[M+Na]+	313.11990	171.1
[M-H]-	289.12340	175.0
[M+NH4]+	308.16450	175.7
[M+K]+	329.09384	170.4
[M+H-H2O]+	273.12794	151.6
[M+HCOO]-	335.12888	184.6
[M+CH3COO]-	349.14453	175.9
[M+Na-2H]-	311.10535	168.1
[M]+	290.13013	174.2
[M]-	290.13123	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe