CID 9631227

3-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H13Cl3N2O3
SMILES
C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H13Cl3N2O3/c22-16-7-4-14(5-8-16)21(28)29-17-3-1-2-13(10-17)12-25-26-20(27)15-6-9-18(23)19(24)11-15/h1-12H,(H,26,27)/b25-12+
InChIKey
OSKFFRLAIZMLMK-BRJLIKDPSA-N
Compound name
[3-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.99918 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.00646 199.8
[M+Na]+ 468.98840 208.3
[M-H]- 444.99190 208.9
[M+NH4]+ 464.03300 210.3
[M+K]+ 484.96234 201.3
[M+H-H2O]+ 428.99644 191.9
[M+HCOO]- 490.99738 210.7
[M+CH3COO]- 505.01303 231.1
[M+Na-2H]- 466.97385 200.3
[M]+ 445.99863 206.2
[M]- 445.99973 206.2
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.