CID 209109

5h-indeno(5,6-d)-1,3-dioxole-5,7(6h)-dione, 6-phenyl-

Structural Information

Molecular Formula
C16H10O4
SMILES
C1OC2=C(O1)C=C3C(=C2)C(=O)C(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C16H10O4/c17-15-10-6-12-13(20-8-19-12)7-11(10)16(18)14(15)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKey
OUBOZNIAPDOIKB-UHFFFAOYSA-N
Compound name
6-phenylcyclopenta[f][1,3]benzodioxole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05792 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.065196 154.8
[M+Na]+ 289.047138 165.4
[M-H]- 265.050644 165.7
[M+NH4]+ 284.091743 174.5
[M+K]+ 305.021078 163.4
[M+H-H2O]+ 249.055180 150.2
[M+HCOO]- 311.056121 176.1
[M+CH3COO]- 325.071771 169.2
[M+Na-2H]- 287.032586 159.0
[M]+ 266.05737142 158.2
[M]- 266.05846858 158.2
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.