CID 293418
101564-48-1
Structural Information
- Molecular Formula
- C12H13BrF6O2
- SMILES
- CC1=C(C(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)Br
- InChI
- InChI=1S/C12H13BrF6O2/c1-5-4-9(2,3)8(7(20)6(5)13)10(21,11(14,15)16)12(17,18)19/h8,21H,4H2,1-3H3
- InChIKey
- DPQCPKKVUDMATE-UHFFFAOYSA-N
- Compound name
- 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 383.00758 | 178.6 |
[M+Na]+ | 404.98952 | 191.3 |
[M-H]- | 380.99302 | 176.8 |
[M+NH4]+ | 400.03412 | 196.0 |
[M+K]+ | 420.96346 | 178.9 |
[M+H-H2O]+ | 364.99756 | 176.2 |
[M+HCOO]- | 426.99850 | 185.3 |
[M+CH3COO]- | 441.01415 | 211.3 |
[M+Na-2H]- | 402.97497 | 181.0 |
[M]+ | 381.99975 | 187.9 |
[M]- | 382.00085 | 187.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.