CID 9688181

4-bromo-2-(2-((4-fluorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C22H15BrClFN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C22H15BrClFN2O4/c23-15-5-10-20(31-22(29)18-3-1-2-4-19(18)24)14(11-15)12-26-27-21(28)13-30-17-8-6-16(25)7-9-17/h1-12H,13H2,(H,27,28)/b26-12+
InChIKey
IVRUFKCWIDQNKY-RPPGKUMJSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.98877 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.99605 204.9
[M+Na]+ 526.97799 209.0
[M+NH4]+ 522.02259 207.2
[M+K]+ 542.95193 206.8
[M-H]- 502.98149 207.9
[M+Na-2H]- 524.96344 209.8
[M]+ 503.98822 205.3
[M]- 503.98932 205.3
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.