CID 18526054
7-bromo-5-methoxy-1,3-benzoxazole
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- COC1=CC2=C(C(=C1)Br)OC=N2
- InChI
- InChI=1S/C8H6BrNO2/c1-11-5-2-6(9)8-7(3-5)10-4-12-8/h2-4H,1H3
- InChIKey
- UXGJFRVLTQFYMX-UHFFFAOYSA-N
- Compound name
- 7-bromo-5-methoxy-1,3-benzoxazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 139.5 |
[M+Na]+ | 249.94741 | 144.6 |
[M+NH4]+ | 244.99201 | 144.8 |
[M+K]+ | 265.92135 | 145.9 |
[M-H]- | 225.95091 | 141.0 |
[M+Na-2H]- | 247.93286 | 142.9 |
[M]+ | 226.95764 | 139.5 |
[M]- | 226.95874 | 139.5 |
Literature stripe
No literature data available for this compound.