CID 9645562

3-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C22H15Cl3N2O4
SMILES
C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C22H15Cl3N2O4/c23-16-9-7-15(8-10-16)22(29)31-17-4-1-3-14(11-17)12-26-27-20(28)13-30-19-6-2-5-18(24)21(19)25/h1-12H,13H2,(H,27,28)/b26-12+
InChIKey
LLUNYFXPOLIQNO-RPPGKUMJSA-N
Compound name
[3-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.00974 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.01702 205.8
[M+Na]+ 498.99896 213.7
[M-H]- 475.00246 214.9
[M+NH4]+ 494.04356 215.1
[M+K]+ 514.97290 207.4
[M+H-H2O]+ 459.00700 197.7
[M+HCOO]- 521.00794 216.7
[M+CH3COO]- 535.02359 235.9
[M+Na-2H]- 496.98441 206.2
[M]+ 476.00919 213.9
[M]- 476.01029 213.9
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.