CID 467769

3,8-dihydroxy-2-isopropenyl-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula
C15H12O5
SMILES
CC(=C)C1C(C2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O)O
InChI
InChI=1S/C15H12O5/c1-6(2)14-13(19)10-11(17)7-4-3-5-8(16)9(7)12(18)15(10)20-14/h3-5,13-14,16,19H,1H2,2H3
InChIKey
ZYEBGWMOHDXQFR-UHFFFAOYSA-N
Compound name
3,8-dihydroxy-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

272.06848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 156.4
[M+Na]+ 295.05770 166.6
[M-H]- 271.06120 160.9
[M+NH4]+ 290.10230 174.7
[M+K]+ 311.03164 163.4
[M+H-H2O]+ 255.06574 152.2
[M+HCOO]- 317.06668 172.9
[M+CH3COO]- 331.08233 197.0
[M+Na-2H]- 293.04315 158.4
[M]+ 272.06793 157.9
[M]- 272.06903 157.9
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.