CID 13628397

3711-03-3

Structural Information

Molecular Formula

C₁₄H₄O₆

SMILES

C1=CC2=C(C3=C1C4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O

InChI

InChI=1S/C14H4O6/c15-11-7-3-1-5-6(10(7)14(18)19-11)2-4-8-9(5)13(17)20-12(8)16/h1-4H

InChIKey

NCILSZDIXQXFQA-UHFFFAOYSA-N

Compound name

[2]benzofuro[5,4-e][2]benzofuran-1,3,6,8-tetrone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2215
Patents: 268.0008 Da
Monoisotopic Mass: 1.9
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]+	269.00808	148.8
[M+Na]+	290.99002	165.7
[M+NH4]+	286.03462	156.9
[M+K]+	306.96396	163.9
[M-H]-	266.99352	153.3
[M+Na-2H]-	288.97547	153.1
[M]+	268.00025	152.6
[M]-	268.00135	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe