CID 20113217
2-bromo-3-methyl-n-[2-(trifluoromethyl)phenyl]butanamide
Structural Information
- Molecular Formula
- C12H13BrF3NO
- SMILES
- CC(C)C(C(=O)NC1=CC=CC=C1C(F)(F)F)Br
- InChI
- InChI=1S/C12H13BrF3NO/c1-7(2)10(13)11(18)17-9-6-4-3-5-8(9)12(14,15)16/h3-7,10H,1-2H3,(H,17,18)
- InChIKey
- WPRMQAGAUOGBHD-UHFFFAOYSA-N
- Compound name
- 2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 324.02056 | 167.8 |
[M+Na]+ | 346.00250 | 177.1 |
[M-H]- | 322.00600 | 169.9 |
[M+NH4]+ | 341.04710 | 185.2 |
[M+K]+ | 361.97644 | 165.4 |
[M+H-H2O]+ | 306.01054 | 164.5 |
[M+HCOO]- | 368.01148 | 182.6 |
[M+CH3COO]- | 382.02713 | 206.1 |
[M+Na-2H]- | 343.98795 | 169.6 |
[M]+ | 323.01273 | 181.4 |
[M]- | 323.01383 | 181.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.