CID 3066274
Brn 5607918
Structural Information
- Molecular Formula
- C16H12FNO4
- SMILES
- CC(C1=CC2=C(C=C1)OC3=C(C=CC(=C3)F)C(=O)N2)C(=O)O
- InChI
- InChI=1S/C16H12FNO4/c1-8(16(20)21)9-2-5-13-12(6-9)18-15(19)11-4-3-10(17)7-14(11)22-13/h2-8H,1H3,(H,18,19)(H,20,21)
- InChIKey
- AVBQXJHIZOXWJL-UHFFFAOYSA-N
- Compound name
- 2-(9-fluoro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 302.08232 | 160.6 |
[M+Na]+ | 324.06426 | 168.3 |
[M-H]- | 300.06776 | 163.4 |
[M+NH4]+ | 319.10886 | 173.3 |
[M+K]+ | 340.03820 | 169.5 |
[M+H-H2O]+ | 284.07230 | 154.2 |
[M+HCOO]- | 346.07324 | 173.9 |
[M+CH3COO]- | 360.08889 | 170.9 |
[M+Na-2H]- | 322.04971 | 164.7 |
[M]+ | 301.07449 | 157.5 |
[M]- | 301.07559 | 157.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.