CID 99687
1801-20-3
Structural Information
- Molecular Formula
- C15H9BrO2
- SMILES
- C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)Br
- InChI
- InChI=1S/C15H9BrO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H
- InChIKey
- GEUAEOKKYUSIJF-UHFFFAOYSA-N
- Compound name
- 2-bromo-2-phenylindene-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 300.98586 | 160.0 |
[M+Na]+ | 322.96780 | 173.5 |
[M-H]- | 298.97130 | 170.9 |
[M+NH4]+ | 318.01240 | 183.6 |
[M+K]+ | 338.94174 | 161.5 |
[M+H-H2O]+ | 282.97584 | 160.6 |
[M+HCOO]- | 344.97678 | 181.6 |
[M+CH3COO]- | 358.99243 | 175.5 |
[M+Na-2H]- | 320.95325 | 166.5 |
[M]+ | 299.97803 | 179.2 |
[M]- | 299.97913 | 179.2 |