CID 9666284

4-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C21H14BrFN2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)F)Br
InChI
InChI=1S/C21H14BrFN2O3/c22-19-4-2-1-3-18(19)21(27)28-17-11-5-14(6-12-17)13-24-25-20(26)15-7-9-16(23)10-8-15/h1-13H,(H,25,26)/b24-13+
InChIKey
ICKLNKGFOBXAEV-ZMOGYAJESA-N
Compound name
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.01718 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.02446 191.7
[M+Na]+ 463.00640 195.5
[M+NH4]+ 458.05100 194.5
[M+K]+ 478.98034 193.7
[M-H]- 439.00990 195.1
[M+Na-2H]- 460.99185 197.5
[M]+ 440.01663 191.9
[M]- 440.01773 191.9
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.