CID 51060170

5-((4-chlorobenzoyl)oxy)-2-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C28H16Cl4N2O5
SMILES
C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H16Cl4N2O5/c29-20-7-1-16(2-8-20)27(36)38-22-11-5-19(15-33-34-26(35)18-6-12-23(31)24(32)13-18)25(14-22)39-28(37)17-3-9-21(30)10-4-17/h1-15H,(H,34,35)/b33-15+
InChIKey
BNOQIEXZHTWZKK-ROPCREHHSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.9813 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.98858 229.7
[M+Na]+ 622.97052 237.1
[M-H]- 598.97402 239.8
[M+NH4]+ 618.01512 234.0
[M+K]+ 638.94446 231.7
[M+H-H2O]+ 582.97856 220.6
[M+HCOO]- 644.97950 233.8
[M+CH3COO]- 658.99515 255.7
[M+Na-2H]- 620.95597 226.5
[M]+ 599.98075 238.5
[M]- 599.98185 238.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.