CID 176120

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

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
(1S,8R,9S,13R)-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]+ 217.049526 140.9
[M+Na]+ 239.031468 152.0
[M-H]- 215.034974 148.2
[M+NH4]+ 234.076073 166.1
[M+K]+ 255.005408 150.9
[M+H-H2O]+ 199.039510 139.6
[M+HCOO]- 261.040451 160.8
[M+CH3COO]- 275.056101 156.0
[M+Na-2H]- 237.016916 145.4
[M]+ 216.04170142 145.4
[M]- 216.04279858 145.4
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.