CID 497532

2-ethylnaphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

CCC1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10O3/c1-2-8-7-11-12(15)9-5-3-4-6-10(9)13(16)14(11)17-8/h3-7H,2H2,1H3

InChIKey

QORFLTDEUGKOSZ-UHFFFAOYSA-N

Compound name

2-ethylbenzo[f][1]benzofuran-4,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 178
Patents: 226.06299 Da
Monoisotopic Mass: 3.1
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]+	227.07027	145.3
[M+Na]+	249.05221	156.6
[M-H]-	225.05571	152.4
[M+NH4]+	244.09681	166.7
[M+K]+	265.02615	153.6
[M+H-H2O]+	209.06025	140.1
[M+HCOO]-	271.06119	167.3
[M+CH3COO]-	285.07684	159.9
[M+Na-2H]-	247.03766	151.6
[M]+	226.06244	149.0
[M]-	226.06354	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe