CID 9668110
4-(2-benzoylcarbohydrazonoyl)phenyl 2,4-dichlorobenzoate
Structural Information
- Molecular Formula
- C21H14Cl2N2O3
- SMILES
- C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C21H14Cl2N2O3/c22-16-8-11-18(19(23)12-16)21(27)28-17-9-6-14(7-10-17)13-24-25-20(26)15-4-2-1-3-5-15/h1-13H,(H,25,26)/b24-13+
- InChIKey
- WLMSYAQBRYXTNX-ZMOGYAJESA-N
- Compound name
- [4-[(E)-(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.04543 | 194.5 |
[M+Na]+ | 435.02737 | 202.2 |
[M-H]- | 411.03087 | 204.7 |
[M+NH4]+ | 430.07197 | 205.9 |
[M+K]+ | 451.00131 | 195.5 |
[M+H-H2O]+ | 395.03541 | 185.8 |
[M+HCOO]- | 457.03635 | 210.9 |
[M+CH3COO]- | 471.05200 | 225.9 |
[M+Na-2H]- | 433.01282 | 196.8 |
[M]+ | 412.03760 | 199.9 |
[M]- | 412.03870 | 199.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.