CID 467771

3-hydroxy-2-isopropenyl-5-methoxy-2,3-dihydrobenzo[f]benzofuran-4,9-dione

Structural Information

Molecular Formula
C16H14O5
SMILES
CC(=C)C1C(C2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)O
InChI
InChI=1S/C16H14O5/c1-7(2)15-14(19)11-13(18)10-8(12(17)16(11)21-15)5-4-6-9(10)20-3/h4-6,14-15,19H,1H2,2-3H3
InChIKey
PWZYXEDCZFMAPK-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methoxy-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

286.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.5
[M+Na]+ 309.07336 170.7
[M-H]- 285.07686 166.2
[M+NH4]+ 304.11796 178.9
[M+K]+ 325.04730 168.0
[M+H-H2O]+ 269.08140 155.8
[M+HCOO]- 331.08234 178.2
[M+CH3COO]- 345.09799 202.3
[M+Na-2H]- 307.05881 162.3
[M]+ 286.08359 164.1
[M]- 286.08469 164.1
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.