CID 9645137

4-(2-((2-chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H15Cl3N2O4
SMILES
C1=CC=C(C(=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C22H15Cl3N2O4/c23-15-7-10-17(19(25)11-15)22(29)31-16-8-5-14(6-9-16)12-26-27-21(28)13-30-20-4-2-1-3-18(20)24/h1-12H,13H2,(H,27,28)/b26-12+
InChIKey
IIZASRHWVOHGLQ-RPPGKUMJSA-N
Compound name
[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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]+ 477.017016 205.8
[M+Na]+ 498.998958 213.7
[M-H]- 475.002464 214.9
[M+NH4]+ 494.043563 215.1
[M+K]+ 514.972898 207.4
[M+H-H2O]+ 459.007000 197.7
[M+HCOO]- 521.007941 216.7
[M+CH3COO]- 535.023591 235.9
[M+Na-2H]- 496.984406 206.2
[M]+ 476.00919142 213.9
[M]- 476.01028858 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.