CID 69743

Naphtho[2,3-c]furan-1,3-dione

Structural Information

Molecular Formula

C₁₂H₆O₃

SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=O)OC3=O

InChI

InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H

InChIKey

IZJDCINIYIMFGX-UHFFFAOYSA-N

Compound name

benzo[f][2]benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3329
Patents: 198.0317 Da
Monoisotopic Mass: 2.5
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]+	199.03898	137.2
[M+Na]+	221.02092	151.9
[M+NH4]+	216.06552	147.0
[M+K]+	236.99486	146.9
[M-H]-	197.02442	141.4
[M+Na-2H]-	219.00637	142.8
[M]+	198.03115	140.5
[M]-	198.03225	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe