CID 759107
4'-anilino-2,2,2-trichloroacetanilide
Structural Information
- Molecular Formula
- C14H11Cl3N2O
- SMILES
- C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(Cl)(Cl)Cl
- InChI
- InChI=1S/C14H11Cl3N2O/c15-14(16,17)13(20)19-12-8-6-11(7-9-12)18-10-4-2-1-3-5-10/h1-9,18H,(H,19,20)
- InChIKey
- DXWLHYHAGCVSIA-UHFFFAOYSA-N
- Compound name
- N-(4-anilinophenyl)-2,2,2-trichloroacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.00096 | 170.9 |
[M+Na]+ | 350.98290 | 178.4 |
[M-H]- | 326.98640 | 175.5 |
[M+NH4]+ | 346.02750 | 185.5 |
[M+K]+ | 366.95684 | 171.4 |
[M+H-H2O]+ | 310.99094 | 165.5 |
[M+HCOO]- | 372.99188 | 180.0 |
[M+CH3COO]- | 387.00753 | 207.0 |
[M+Na-2H]- | 348.96835 | 175.8 |
[M]+ | 327.99313 | 172.6 |
[M]- | 327.99423 | 172.6 |