CID 83854116
1-bromo-3-(1,2,2,2-tetrafluoroethyl)benzene
Structural Information
- Molecular Formula
- C8H5BrF4
- SMILES
- C1=CC(=CC(=C1)Br)C(C(F)(F)F)F
- InChI
- InChI=1S/C8H5BrF4/c9-6-3-1-2-5(4-6)7(10)8(11,12)13/h1-4,7H
- InChIKey
- AQZWWOUSUQDEAS-UHFFFAOYSA-N
- Compound name
- 1-bromo-3-(1,2,2,2-tetrafluoroethyl)benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.95836 | 147.4 |
[M+Na]+ | 278.94030 | 159.6 |
[M-H]- | 254.94380 | 149.0 |
[M+NH4]+ | 273.98490 | 168.0 |
[M+K]+ | 294.91424 | 148.0 |
[M+H-H2O]+ | 238.94834 | 144.9 |
[M+HCOO]- | 300.94928 | 163.1 |
[M+CH3COO]- | 314.96493 | 191.2 |
[M+Na-2H]- | 276.92575 | 152.7 |
[M]+ | 255.95053 | 159.9 |
[M]- | 255.95163 | 159.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.