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]+ 203.03389 136.5
[M+Na]+ 225.01583 151.0
[M-H]- 201.01933 146.7
[M+NH4]+ 220.06043 152.3
[M+K]+ 240.98977 150.5
[M+H-H2O]+ 185.02387 131.5
[M+HCOO]- 247.02481 156.5
[M+CH3COO]- 261.04046 152.0
[M+Na-2H]- 223.00128 147.8
[M]+ 202.02606 145.8
[M]- 202.02716 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.