CID 4301570

74693-31-5

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(=C)C1CC2=C(O1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-6,12H,1,7H2,2H3
InChIKey
JXIGNVDGTOKIJS-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-yl-2,3-dihydrobenzo[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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.3
[M+Na]+ 263.06786 160.0
[M-H]- 239.07136 156.9
[M+NH4]+ 258.11246 170.9
[M+K]+ 279.04180 156.9
[M+H-H2O]+ 223.07590 145.3
[M+HCOO]- 285.07684 169.6
[M+CH3COO]- 299.09249 194.5
[M+Na-2H]- 261.05331 154.0
[M]+ 240.07809 151.5
[M]- 240.07919 151.5
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.