CID 266805

13289-90-2

Structural Information

Molecular Formula
C11H10O4
SMILES
C1CC(=O)C2=C(C=CC(=C2C(=O)C1)O)O
InChI
InChI=1S/C11H10O4/c12-6-2-1-3-7(13)11-9(15)5-4-8(14)10(6)11/h4-5,14-15H,1-3H2
InChIKey
OBEWSBMNHGZOOT-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 136.7
[M+Na]+ 229.04712 143.9
[M-H]- 205.05062 140.5
[M+NH4]+ 224.09172 154.7
[M+K]+ 245.02106 145.8
[M+H-H2O]+ 189.05516 133.2
[M+HCOO]- 251.05610 155.3
[M+CH3COO]- 265.07175 183.5
[M+Na-2H]- 227.03257 141.5
[M]+ 206.05735 132.6
[M]- 206.05845 132.6
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.