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 194.8
[M+Na]+ 463.00640 203.0
[M-H]- 439.00990 206.0
[M+NH4]+ 458.05100 207.0
[M+K]+ 478.98034 190.7
[M+H-H2O]+ 423.01444 189.5
[M+HCOO]- 485.01538 216.5
[M+CH3COO]- 499.03103 228.2
[M+Na-2H]- 460.99185 198.1
[M]+ 440.01663 212.9
[M]- 440.01773 212.9
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.