CID 9688189

3-(2-(2-iodobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H13Cl2IN2O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)I
InChI
InChI=1S/C21H13Cl2IN2O3/c22-14-8-9-16(18(23)11-14)21(28)29-15-5-3-4-13(10-15)12-25-26-20(27)17-6-1-2-7-19(17)24/h1-12H,(H,26,27)/b25-12+
InChIKey
JDUDQZZCCQOLMR-BRJLIKDPSA-N
Compound name
[3-[(E)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.9348 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.94208 208.8
[M+Na]+ 560.92402 209.8
[M-H]- 536.92752 211.4
[M+NH4]+ 555.96862 215.0
[M+K]+ 576.89796 209.0
[M+H-H2O]+ 520.93206 196.3
[M+HCOO]- 582.93300 219.9
[M+CH3COO]- 596.94865 235.3
[M+Na-2H]- 558.90947 198.5
[M]+ 537.93425 211.4
[M]- 537.93535 211.4
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.