CID 12667613

11,12-dioxatricyclo[5.3.1.12,6]dodeca-4,8-diene-3,10-dione

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC(=O)C2C3C(=O)C=CC(C1O2)O3
InChI
InChI=1S/C10H8O4/c11-5-1-3-7-8-4-2-6(12)10(14-8)9(5)13-7/h1-4,7-10H
InChIKey
JOHWAGPKCLQGKE-UHFFFAOYSA-N
Compound name
11,12-dioxatricyclo[5.3.1.12,6]dodeca-4,8-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04225 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 131.7
[M+Na]+ 215.031468 140.3
[M-H]- 191.034974 135.6
[M+NH4]+ 210.076073 151.9
[M+K]+ 231.005408 140.4
[M+H-H2O]+ 175.039510 126.4
[M+HCOO]- 237.040451 147.2
[M+CH3COO]- 251.056101 145.3
[M+Na-2H]- 213.016916 142.6
[M]+ 192.04170142 133.0
[M]- 192.04279858 133.0
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.