CID 53428243

11,12-dioxatricyclo[5.3.1.12,6]dodeca-4,9-diene-3,8-dione

Structural Information

Molecular Formula
C10H8O4
SMILES
C1=CC(=O)C2C3C=CC(=O)C(C1O2)O3
InChI
InChI=1S/C10H8O4/c11-5-1-3-7-10-6(12)2-4-8(14-10)9(5)13-7/h1-4,7-10H
InChIKey
NSKOPSMDHHHOAN-UHFFFAOYSA-N
Compound name
11,12-dioxatricyclo[5.3.1.12,6]dodeca-4,9-diene-3,8-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]+ 193.04953 135.7
[M+Na]+ 215.03147 148.7
[M+NH4]+ 210.07607 145.3
[M+K]+ 231.00541 143.2
[M-H]- 191.03497 139.1
[M+Na-2H]- 213.01692 137.0
[M]+ 192.04170 138.5
[M]- 192.04280 138.5
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.