CID 167735760
N-[(3r)-4,4-difluoropyrrolidin-3-yl]-2,2,2-trifluoroacetamide hydrochloride
Structural Information
- Molecular Formula
- C6H7F5N2O
- SMILES
- C1[C@H](C(CN1)(F)F)NC(=O)C(F)(F)F
- InChI
- InChI=1S/C6H7F5N2O/c7-5(8)2-12-1-3(5)13-4(14)6(9,10)11/h3,12H,1-2H2,(H,13,14)/t3-/m1/s1
- InChIKey
- XKUABSFMUVEQNB-GSVOUGTGSA-N
- Compound name
- N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2,2,2-trifluoroacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.05513 | 137.8 |
[M+Na]+ | 241.03707 | 145.6 |
[M-H]- | 217.04057 | 132.3 |
[M+NH4]+ | 236.08167 | 157.4 |
[M+K]+ | 257.01101 | 143.0 |
[M+H-H2O]+ | 201.04511 | 129.0 |
[M+HCOO]- | 263.04605 | 151.9 |
[M+CH3COO]- | 277.06170 | 183.7 |
[M+Na-2H]- | 239.02252 | 140.5 |
[M]+ | 218.04730 | 126.3 |
[M]- | 218.04840 | 126.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.