CID 45054321

4-(2-(4-bromobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H13BrCl2N2O3
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H13BrCl2N2O3/c22-15-5-3-14(4-6-15)20(27)26-25-12-13-1-8-17(9-2-13)29-21(28)18-10-7-16(23)11-19(18)24/h1-12H,(H,26,27)/b25-12+
InChIKey
YVYWVQQBUDPGLJ-BRJLIKDPSA-N
Compound name
[4-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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 200.0
[M+Na]+ 512.93789 210.9
[M-H]- 488.94139 212.2
[M+NH4]+ 507.98249 212.5
[M+K]+ 528.91183 196.5
[M+H-H2O]+ 472.94593 197.3
[M+HCOO]- 534.94687 213.9
[M+CH3COO]- 548.96252 233.6
[M+Na-2H]- 510.92334 202.7
[M]+ 489.94812 223.4
[M]- 489.94922 223.4
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.