CID 497533

2-propylbenzo[f]benzofuran-4,9-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
CCCC1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12O3/c1-2-5-9-8-12-13(16)10-6-3-4-7-11(10)14(17)15(12)18-9/h3-4,6-8H,2,5H2,1H3
InChIKey
UVHKBCNCSUJJPL-UHFFFAOYSA-N
Compound name
2-propylbenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.07864 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.2
[M+Na]+ 263.06786 161.0
[M-H]- 239.07136 157.1
[M+NH4]+ 258.11246 171.0
[M+K]+ 279.04180 157.8
[M+H-H2O]+ 223.07590 144.8
[M+HCOO]- 285.07684 171.8
[M+CH3COO]- 299.09249 194.0
[M+Na-2H]- 261.05331 155.9
[M]+ 240.07809 154.2
[M]- 240.07919 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.