CID 176120

(3a-alpha,4-beta,9-beta,9a-alpha)-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho(2,3-c)furan-1,3-dione

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC=C2[C@H]3[C@@H]4[C@H]([C@@H](C2=C1)O3)C(=O)OC4=O
InChI
InChI=1S/C12H8O4/c13-11-7-8(12(14)16-11)10-6-4-2-1-3-5(6)9(7)15-10/h1-4,7-10H/t7-,8+,9-,10+
InChIKey
CJPSIBAIMIKXCI-YNFQOJQRSA-N
Compound name
(1R,8S,9R,13S)-11,14-dioxatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04953 141.1
[M+Na]+ 239.03147 151.9
[M+NH4]+ 234.07607 150.7
[M+K]+ 255.00541 152.7
[M-H]- 215.03497 144.2
[M+Na-2H]- 237.01692 140.3
[M]+ 216.04170 143.3
[M]- 216.04280 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.