CID 467772

8-hydroxy-2-isopropenyl-benzo[f]benzofuran-4,9-dione

Structural Information

Molecular Formula
C15H10O4
SMILES
CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O
InChI
InChI=1S/C15H10O4/c1-7(2)11-6-9-13(17)8-4-3-5-10(16)12(8)14(18)15(9)19-11/h3-6,16H,1H2,2H3
InChIKey
CSHWHERXXXVKKQ-UHFFFAOYSA-N
Compound name
8-hydroxy-2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.0579 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 152.2
[M+Na]+ 277.04712 163.2
[M-H]- 253.05062 158.2
[M+NH4]+ 272.09172 171.8
[M+K]+ 293.02106 159.9
[M+H-H2O]+ 237.05516 147.5
[M+HCOO]- 299.05610 171.6
[M+CH3COO]- 313.07175 195.2
[M+Na-2H]- 275.03257 155.9
[M]+ 254.05735 155.0
[M]- 254.05845 155.0
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.