CID 9610644

2-(2-(2-chlorobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C21H14Cl2N2O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2Cl)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H14Cl2N2O3/c22-16-11-9-14(10-12-16)21(27)28-19-8-4-1-5-15(19)13-24-25-20(26)17-6-2-3-7-18(17)23/h1-13H,(H,25,26)/b24-13+
InChIKey
RTZBTDJBDIEICI-ZMOGYAJESA-N
Compound name
[2-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.03815 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04543 194.5
[M+Na]+ 435.02737 202.2
[M-H]- 411.03087 204.7
[M+NH4]+ 430.07197 205.9
[M+K]+ 451.00131 195.5
[M+H-H2O]+ 395.03541 185.8
[M+HCOO]- 457.03635 210.9
[M+CH3COO]- 471.05200 225.9
[M+Na-2H]- 433.01282 196.8
[M]+ 412.03760 199.9
[M]- 412.03870 199.9
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.