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 131.7
[M+Na]+ 215.03147 140.3
[M-H]- 191.03497 135.6
[M+NH4]+ 210.07607 151.9
[M+K]+ 231.00541 140.4
[M+H-H2O]+ 175.03951 126.4
[M+HCOO]- 237.04045 147.2
[M+CH3COO]- 251.05610 145.3
[M+Na-2H]- 213.01692 142.6
[M]+ 192.04170 133.0
[M]- 192.04280 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.