CID 50998390
2-bromo-3-chloro-1,4-difluorobenzene
Structural Information
- Molecular Formula
- C6H2BrClF2
- SMILES
- C1=CC(=C(C(=C1F)Cl)Br)F
- InChI
- InChI=1S/C6H2BrClF2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H
- InChIKey
- WDSQBLDNVHUJRA-UHFFFAOYSA-N
- Compound name
- 2-bromo-3-chloro-1,4-difluorobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.90692 | 131.1 |
[M+Na]+ | 248.88886 | 146.7 |
[M-H]- | 224.89236 | 135.9 |
[M+NH4]+ | 243.93346 | 154.5 |
[M+K]+ | 264.86280 | 133.7 |
[M+H-H2O]+ | 208.89690 | 131.6 |
[M+HCOO]- | 270.89784 | 147.8 |
[M+CH3COO]- | 284.91349 | 185.5 |
[M+Na-2H]- | 246.87431 | 138.4 |
[M]+ | 225.89909 | 149.3 |
[M]- | 225.90019 | 149.3 |
Literature stripe
No literature data available for this compound.