CID 9639202

2-ethoxy-4-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H17Cl2FN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl2FN2O4/c1-2-31-21-11-14(13-27-28-22(29)15-4-7-17(26)8-5-15)3-10-20(21)32-23(30)18-9-6-16(24)12-19(18)25/h3-13H,2H2,1H3,(H,28,29)/b27-13+
InChIKey
UGLHQLBOEQCWGU-UVHMKAGCSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.05493 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.06221 208.2
[M+Na]+ 497.04415 216.6
[M-H]- 473.04765 217.4
[M+NH4]+ 492.08875 217.6
[M+K]+ 513.01809 210.1
[M+H-H2O]+ 457.05219 198.3
[M+HCOO]- 519.05313 223.1
[M+CH3COO]- 533.06878 238.7
[M+Na-2H]- 495.02960 207.7
[M]+ 474.05438 215.6
[M]- 474.05548 215.6
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.