CID 9636136

4-bromo-2-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H13BrClFN2O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C21H13BrClFN2O3/c22-15-7-10-19(29-21(28)17-3-1-2-4-18(17)23)14(11-15)12-25-26-20(27)13-5-8-16(24)9-6-13/h1-12H,(H,26,27)/b25-12+
InChIKey
NZNHPVQBSUBLSP-BRJLIKDPSA-N
Compound name
[4-bromo-2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.9782 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.98548 199.9
[M+Na]+ 496.96742 210.1
[M-H]- 472.97092 211.5
[M+NH4]+ 492.01202 212.2
[M+K]+ 512.94136 196.2
[M+H-H2O]+ 456.97546 195.5
[M+HCOO]- 518.97640 217.5
[M+CH3COO]- 532.99205 232.6
[M+Na-2H]- 494.95287 202.3
[M]+ 473.97765 221.0
[M]- 473.97875 221.0
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.