CID 9605556

4-(2-((2,3-dichlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C22H15Cl2FN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C(=CC=C3)Cl)Cl)F
InChI
InChI=1S/C22H15Cl2FN2O4/c23-17-5-3-7-19(21(17)24)30-13-20(28)27-26-12-14-8-10-15(11-9-14)31-22(29)16-4-1-2-6-18(16)25/h1-12H,13H2,(H,27,28)/b26-12+
InChIKey
SMCBANLXQBRKEX-RPPGKUMJSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.03928 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.04656 203.4
[M+Na]+ 483.02850 211.4
[M-H]- 459.03200 212.5
[M+NH4]+ 478.07310 213.0
[M+K]+ 499.00244 205.0
[M+H-H2O]+ 443.03654 193.5
[M+HCOO]- 505.03748 218.7
[M+CH3COO]- 519.05313 234.6
[M+Na-2H]- 481.01395 204.2
[M]+ 460.03873 210.0
[M]- 460.03983 210.0
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.