CID 254817

82111-99-7

Structural Information

Molecular Formula

C₂₀H₁₂O₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C20H12O2/c21-19-15-9-3-6-12-18(15)20(22-19)16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H

InChIKey

JYYXPYFFTVLXIM-UHFFFAOYSA-N

Compound name

spiro[2-benzofuran-3,9'-fluorene]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 46
Patents: 284.08374 Da
Monoisotopic Mass: 4.0
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]+	285.09102	164.3
[M+Na]+	307.07296	176.2
[M-H]-	283.07646	174.7
[M+NH4]+	302.11756	187.8
[M+K]+	323.04690	170.4
[M+H-H2O]+	267.08100	157.9
[M+HCOO]-	329.08194	185.6
[M+CH3COO]-	343.09759	178.1
[M+Na-2H]-	305.05841	170.4
[M]+	284.08319	166.7
[M]-	284.08429	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe