CID 467768

7-hydroxy-2-isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula
C15H12O4
SMILES
CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
InChI
InChI=1S/C15H12O4/c1-7(2)12-6-11-13(17)9-4-3-8(16)5-10(9)14(18)15(11)19-12/h3-5,12,16H,1,6H2,2H3
InChIKey
YQISXSCKHAYRAU-UHFFFAOYSA-N
Compound name
7-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.07355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 153.4
[M+Na]+ 279.062768 163.4
[M-H]- 255.066274 158.9
[M+NH4]+ 274.107373 172.8
[M+K]+ 295.036708 160.2
[M+H-H2O]+ 239.070810 148.8
[M+HCOO]- 301.071751 171.3
[M+CH3COO]- 315.087401 195.6
[M+Na-2H]- 277.048216 156.2
[M]+ 256.07300142 154.7
[M]- 256.07409858 154.7
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.