CID 10465439

Ns00116547

Structural Information

Molecular Formula
C11H6O4
SMILES
C1=CC(=O)OC2=CC3=C(C=C21)C4C(O4)O3
InChI
InChI=1S/C11H6O4/c12-9-2-1-5-3-6-8(4-7(5)13-9)14-11-10(6)15-11/h1-4,10-11H
InChIKey
WHALJTOJMFKOIS-UHFFFAOYSA-N
Compound name
5,7,11-trioxatetracyclo[8.4.0.03,8.04,6]tetradeca-1,3(8),9,13-tetraen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02661 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.033886 136.5
[M+Na]+ 225.015828 151.0
[M-H]- 201.019334 146.7
[M+NH4]+ 220.060433 152.3
[M+K]+ 240.989768 150.5
[M+H-H2O]+ 185.023870 131.5
[M+HCOO]- 247.024811 156.5
[M+CH3COO]- 261.040461 152.0
[M+Na-2H]- 223.001276 147.8
[M]+ 202.02606142 145.8
[M]- 202.02715858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.