CID 21873533
688363-48-6
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1C(=O)NC2=C(O1)C(=CC=C2)Br
- InChI
- InChI=1S/C8H6BrNO2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4H2,(H,10,11)
- InChIKey
- FVGSWEPMUVKUDX-UHFFFAOYSA-N
- Compound name
- 8-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 |
Literature stripe
No literature data available for this compound.