CID 16022
4-bromo-2,5-dichlorophenol
Structural Information
- Molecular Formula
- C6H3BrCl2O
- SMILES
- C1=C(C(=CC(=C1Cl)Br)Cl)O
- InChI
- InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
- InChIKey
- HWWKEEKUMAZJLL-UHFFFAOYSA-N
- Compound name
- 4-bromo-2,5-dichlorophenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 240.88172 | 132.4 |
[M+Na]+ | 262.86366 | 147.9 |
[M-H]- | 238.86716 | 137.8 |
[M+NH4]+ | 257.90826 | 155.1 |
[M+K]+ | 278.83760 | 133.8 |
[M+H-H2O]+ | 222.87170 | 135.4 |
[M+HCOO]- | 284.87264 | 145.0 |
[M+CH3COO]- | 298.88829 | 184.3 |
[M+Na-2H]- | 260.84911 | 139.9 |
[M]+ | 239.87389 | 153.0 |
[M]- | 239.87499 | 153.0 |