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]+ 267.06520 154.8
[M+Na]+ 289.04714 165.4
[M-H]- 265.05064 165.7
[M+NH4]+ 284.09174 174.5
[M+K]+ 305.02108 163.4
[M+H-H2O]+ 249.05518 150.2
[M+HCOO]- 311.05612 176.1
[M+CH3COO]- 325.07177 169.2
[M+Na-2H]- 287.03259 159.0
[M]+ 266.05737 158.2
[M]- 266.05847 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.