CID 7021625
3-bromo-4-hydroxy-5-methoxybenzonitrile
Structural Information
- Molecular Formula
- C8H6BrNO2
- SMILES
- COC1=C(C(=CC(=C1)C#N)Br)O
- InChI
- InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3
- InChIKey
- FHXLXRNDUJYBEQ-UHFFFAOYSA-N
- Compound name
- 3-bromo-4-hydroxy-5-methoxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 227.96547 | 138.5 |
[M+Na]+ | 249.94741 | 142.7 |
[M+NH4]+ | 244.99201 | 140.5 |
[M+K]+ | 265.92135 | 139.9 |
[M-H]- | 225.95091 | 132.6 |
[M+Na-2H]- | 247.93286 | 139.9 |
[M]+ | 226.95764 | 135.7 |
[M]- | 226.95874 | 135.7 |