CID 379590
67927-44-0
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- CN1C2=C(C=C(C=C2)Br)OC1=O
- InChI
- InChI=1S/C8H6BrNO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3
- InChIKey
- OASANCDKMGODJO-UHFFFAOYSA-N
- Compound name
- 6-bromo-3-methyl-1,3-benzoxazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 138.3 |
[M+Na]+ | 249.94741 | 143.7 |
[M+NH4]+ | 244.99201 | 143.4 |
[M+K]+ | 265.92135 | 145.2 |
[M-H]- | 225.95091 | 139.7 |
[M+Na-2H]- | 247.93286 | 141.5 |
[M]+ | 226.95764 | 138.3 |
[M]- | 226.95874 | 138.3 |