CID 9638997

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

Structural Information

Molecular Formula
C21H13BrCl2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl)Br
InChI
InChI=1S/C21H13BrCl2N2O3/c22-17-4-2-1-3-16(17)21(28)29-15-8-5-13(6-9-15)12-25-26-20(27)14-7-10-18(23)19(24)11-14/h1-12H,(H,26,27)/b25-12+
InChIKey
BLYLTPGOMSNBPS-BRJLIKDPSA-N
Compound name
[4-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.94867 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.95595 199.3
[M+Na]+ 512.93789 205.7
[M+NH4]+ 507.98249 203.2
[M+K]+ 528.91183 202.4
[M-H]- 488.94139 204.0
[M+Na-2H]- 510.92334 205.5
[M]+ 489.94812 201.0
[M]- 489.94922 201.0
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.