CID 119031268
(6-bromo-1,3-benzoxazol-2-yl)methanol
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- C1=CC2=C(C=C1Br)OC(=N2)CO
- InChI
- InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
- InChIKey
- VLOCHTRDDAURDT-UHFFFAOYSA-N
- Compound name
- (6-bromo-1,3-benzoxazol-2-yl)methanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 140.6 |
[M+Na]+ | 249.94741 | 145.2 |
[M+NH4]+ | 244.99201 | 145.6 |
[M+K]+ | 265.92135 | 146.7 |
[M-H]- | 225.95091 | 141.7 |
[M+Na-2H]- | 247.93286 | 143.5 |
[M]+ | 226.95764 | 140.4 |
[M]- | 226.95874 | 140.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.