CID 79008
3-bromo-1,1,1-trifluoroacetone
Structural Information
- Molecular Formula
- C3H2BrF3O
- SMILES
- C(C(=O)C(F)(F)F)Br
- InChI
- InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
- InChIKey
- ONZQYZKCUHFORE-UHFFFAOYSA-N
- Compound name
- 3-bromo-1,1,1-trifluoropropan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 190.93138 | 129.1 |
[M+Na]+ | 212.91332 | 141.6 |
[M-H]- | 188.91682 | 129.1 |
[M+NH4]+ | 207.95792 | 152.2 |
[M+K]+ | 228.88726 | 131.7 |
[M+H-H2O]+ | 172.92136 | 128.4 |
[M+HCOO]- | 234.92230 | 146.3 |
[M+CH3COO]- | 248.93795 | 178.9 |
[M+Na-2H]- | 210.89877 | 136.1 |
[M]+ | 189.92355 | 143.5 |
[M]- | 189.92465 | 143.5 |