CID 45054801

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

Structural Information

Molecular Formula
C21H12Cl4N2O3
SMILES
C1=CC(=CC(=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)/C=N/NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H12Cl4N2O3/c22-13-4-6-16(18(24)9-13)20(28)27-26-11-12-2-1-3-15(8-12)30-21(29)17-7-5-14(23)10-19(17)25/h1-11H,(H,27,28)/b26-11+
InChIKey
HXURKXNMQAILFC-KBKYJPHKSA-N
Compound name
[3-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.9602 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.96748 204.6
[M+Na]+ 502.94942 213.5
[M-H]- 478.95292 212.1
[M+NH4]+ 497.99402 214.0
[M+K]+ 518.92336 206.8
[M+H-H2O]+ 462.95746 197.6
[M+HCOO]- 524.95840 209.9
[M+CH3COO]- 538.97405 236.2
[M+Na-2H]- 500.93487 203.3
[M]+ 479.95965 211.0
[M]- 479.96075 211.0
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.