CID 18675343
2-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1=CC=C2C(=C1)NC(=O)C(O2)Br
- InChI
- InChI=1S/C8H6BrNO2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,(H,10,11)
- InChIKey
- ZQJFOGYRODBABR-UHFFFAOYSA-N
- Compound name
- 2-bromo-4H-1,4-benzoxazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 137.6 |
[M+Na]+ | 249.94741 | 141.7 |
[M+NH4]+ | 244.99201 | 142.7 |
[M+K]+ | 265.92135 | 142.0 |
[M-H]- | 225.95091 | 139.0 |
[M+Na-2H]- | 247.93286 | 140.2 |
[M]+ | 226.95764 | 137.4 |
[M]- | 226.95874 | 137.4 |