CID 9666505

477731-71-8

Structural Information

Molecular Formula
C22H13Cl4N3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H13Cl4N3O4/c23-13-3-7-16(18(25)9-13)22(32)33-15-5-1-12(2-6-15)11-27-29-21(31)20(30)28-14-4-8-17(24)19(26)10-14/h1-11H,(H,28,30)(H,29,31)/b27-11+
InChIKey
MOWCBFDTLIRRKQ-LUOAPIJWSA-N
Compound name
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.966 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.97328 213.8
[M+Na]+ 545.95522 221.3
[M-H]- 521.95872 221.5
[M+NH4]+ 540.99982 221.2
[M+K]+ 561.92916 215.6
[M+H-H2O]+ 505.96326 207.0
[M+HCOO]- 567.96420 219.6
[M+CH3COO]- 581.97985 244.7
[M+Na-2H]- 543.94067 211.8
[M]+ 522.96545 220.3
[M]- 522.96655 220.3
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.