CID 9637853

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

Structural Information

Molecular Formula
C21H12BrCl3N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C21H12BrCl3N2O3/c22-14-6-8-19(30-21(29)15-3-1-2-4-16(15)23)13(9-14)11-26-27-20(28)12-5-7-17(24)18(25)10-12/h1-11H,(H,27,28)/b26-11+
InChIKey
SWQUACGMGURORO-KBKYJPHKSA-N
Compound name
[4-bromo-2-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.90967 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.91695 203.0
[M+Na]+ 546.89889 214.8
[M-H]- 522.90239 214.2
[M+NH4]+ 541.94349 214.7
[M+K]+ 562.87283 200.2
[M+H-H2O]+ 506.90693 201.0
[M+HCOO]- 568.90787 211.7
[M+CH3COO]- 582.92352 238.3
[M+Na-2H]- 544.88434 204.3
[M]+ 523.90912 226.8
[M]- 523.91022 226.8
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.