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
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 |