CID 65968512
1496997-41-1
Structural Information
- Molecular Formula
- C13H8F2N2O4
- SMILES
- C1CC(=O)NC(=O)C1N2C(=O)C3=CC(=C(C=C3C2=O)F)F
- InChI
- InChI=1S/C13H8F2N2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)
- InChIKey
- AGHXYRKTAZEQQW-UHFFFAOYSA-N
- Compound name
- 2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.05251 | 161.0 |
[M+Na]+ | 317.03445 | 172.0 |
[M-H]- | 293.03795 | 162.9 |
[M+NH4]+ | 312.07905 | 176.2 |
[M+K]+ | 333.00839 | 166.4 |
[M+H-H2O]+ | 277.04249 | 152.2 |
[M+HCOO]- | 339.04343 | 175.5 |
[M+CH3COO]- | 353.05908 | 200.3 |
[M+Na-2H]- | 315.01990 | 159.6 |
[M]+ | 294.04468 | 156.4 |
[M]- | 294.04578 | 156.4 |
Literature stripe
No literature data available for this compound.