CID 497536

2-ethylnaphtho[1,2-b]furan-4,5-dione

Structural Information

Molecular Formula
C14H10O3
SMILES
CCC1=CC2=C(O1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C14H10O3/c1-2-8-7-11-13(16)12(15)9-5-3-4-6-10(9)14(11)17-8/h3-7H,2H2,1H3
InChIKey
PSLUKBWHHSLSHC-UHFFFAOYSA-N
Compound name
2-ethylbenzo[g][1]benzofuran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.06299 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.