CID 4523038
882748-60-9
Structural Information
- Molecular Formula
- C15H12Cl2N2O3
- SMILES
- C1=CC(=CC=C1C(=O)CCNC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl
- InChI
- InChI=1S/C15H12Cl2N2O3/c16-11-3-1-10(2-4-11)15(20)7-8-18-12-5-6-13(17)14(9-12)19(21)22/h1-6,9,18H,7-8H2
- InChIKey
- KHWQQCOUBJTDSG-UHFFFAOYSA-N
- Compound name
- 3-(4-chloro-3-nitroanilino)-1-(4-chlorophenyl)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.02978 | 175.0 |
[M+Na]+ | 361.01172 | 181.7 |
[M-H]- | 337.01522 | 180.5 |
[M+NH4]+ | 356.05632 | 188.4 |
[M+K]+ | 376.98566 | 171.9 |
[M+H-H2O]+ | 321.01976 | 173.3 |
[M+HCOO]- | 383.02070 | 190.6 |
[M+CH3COO]- | 397.03635 | 204.6 |
[M+Na-2H]- | 358.99717 | 178.8 |
[M]+ | 338.02195 | 177.4 |
[M]- | 338.02305 | 177.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.