CID 10286243

Chembl603434

Structural Information

Molecular Formula
C17H10O5
SMILES
C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)OC3=O)C4=CC=CC=C4
InChI
InChI=1S/C17H10O5/c18-16-14(10-4-2-1-3-5-10)15(17(19)22-16)11-6-7-12-13(8-11)21-9-20-12/h1-8H,9H2
InChIKey
IMHGOAWBSJVILI-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-4-phenylfuran-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

294.05283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06011 161.6
[M+Na]+ 317.04205 171.7
[M-H]- 293.04555 175.4
[M+NH4]+ 312.08665 177.4
[M+K]+ 333.01599 171.4
[M+H-H2O]+ 277.05009 156.7
[M+HCOO]- 339.05103 183.3
[M+CH3COO]- 353.06668 175.8
[M+Na-2H]- 315.02750 165.3
[M]+ 294.05228 166.0
[M]- 294.05338 166.0
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

patents stripe