CID 3118259
N-{1-[3-(acetylamino)phenoxy]-2,2,2-trichloroethyl}butanamide
Structural Information
- Molecular Formula
- C14H17Cl3N2O3
- SMILES
- CCCC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC(=C1)NC(=O)C
- InChI
- InChI=1S/C14H17Cl3N2O3/c1-3-5-12(21)19-13(14(15,16)17)22-11-7-4-6-10(8-11)18-9(2)20/h4,6-8,13H,3,5H2,1-2H3,(H,18,20)(H,19,21)
- InChIKey
- MJEGRIVXRBEQTM-UHFFFAOYSA-N
- Compound name
- N-[1-(3-acetamidophenoxy)-2,2,2-trichloroethyl]butanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.03778 | 179.0 |
[M+Na]+ | 389.01972 | 185.0 |
[M-H]- | 365.02322 | 181.0 |
[M+NH4]+ | 384.06432 | 192.5 |
[M+K]+ | 404.99366 | 179.9 |
[M+H-H2O]+ | 349.02776 | 175.1 |
[M+HCOO]- | 411.02870 | 186.0 |
[M+CH3COO]- | 425.04435 | 215.3 |
[M+Na-2H]- | 387.00517 | 179.8 |
[M]+ | 366.02995 | 183.7 |
[M]- | 366.03105 | 183.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.