CID 497535

2-propylbenzo[g]benzofuran-4,5-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
CCCC1=CC2=C(O1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C15H12O3/c1-2-5-9-8-12-14(17)13(16)10-6-3-4-7-11(10)15(12)18-9/h3-4,6-8H,2,5H2,1H3
InChIKey
VUKIHXCKTDNOHV-UHFFFAOYSA-N
Compound name
2-propylbenzo[g][1]benzofuran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.085916 150.2
[M+Na]+ 263.067858 161.0
[M-H]- 239.071364 157.1
[M+NH4]+ 258.112463 171.0
[M+K]+ 279.041798 157.8
[M+H-H2O]+ 223.075900 144.8
[M+HCOO]- 285.076841 171.8
[M+CH3COO]- 299.092491 194.0
[M+Na-2H]- 261.053306 155.9
[M]+ 240.07809142 154.2
[M]- 240.07918858 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.