CID 25918963
1017783-09-3
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1C2=C(C=CC(=C2)Br)NC(=O)O1
- InChI
- InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
- InChIKey
- SSTOTANBGDRSRF-UHFFFAOYSA-N
- Compound name
- 6-bromo-1,4-dihydro-3,1-benzoxazin-2-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 |