CID 9645491

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

Structural Information

Molecular Formula
C21H13Cl2FN2O3
SMILES
C1=CC(=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/C21H13Cl2FN2O3/c22-15-5-10-18(19(23)11-15)21(28)29-17-8-1-13(2-9-17)12-25-26-20(27)14-3-6-16(24)7-4-14/h1-12H,(H,26,27)/b25-12+
InChIKey
PBDLUKJWAUTTFU-BRJLIKDPSA-N
Compound name
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.02872 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.03600 196.9
[M+Na]+ 453.01794 205.5
[M-H]- 429.02144 206.0
[M+NH4]+ 448.06254 207.8
[M+K]+ 468.99188 198.5
[M+H-H2O]+ 413.02598 187.3
[M+HCOO]- 475.02692 212.2
[M+CH3COO]- 489.04257 229.6
[M+Na-2H]- 451.00339 197.9
[M]+ 430.02817 201.8
[M]- 430.02927 201.8
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.