CID 9636541

4-bromo-2-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H13BrClIN2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3I)Cl
InChI
InChI=1S/C21H13BrClIN2O3/c22-14-9-10-19(29-21(28)15-5-1-3-7-17(15)23)13(11-14)12-25-26-20(27)16-6-2-4-8-18(16)24/h1-12H,(H,26,27)/b25-12+
InChIKey
BCWGQKYWQWOTRU-BRJLIKDPSA-N
Compound name
[4-bromo-2-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.8843 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.89158 212.0
[M+Na]+ 604.87352 214.8
[M-H]- 580.87702 217.1
[M+NH4]+ 599.91812 219.6
[M+K]+ 620.84746 207.2
[M+H-H2O]+ 564.88156 204.4
[M+HCOO]- 626.88250 225.2
[M+CH3COO]- 640.89815 237.8
[M+Na-2H]- 602.85897 203.4
[M]+ 581.88375 229.8
[M]- 581.88485 229.8
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.