CID 9622988

4-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C28H20ClFN2O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H20ClFN2O4/c29-21-13-9-20(10-14-21)18-35-26-8-4-2-6-24(26)27(33)32-31-17-19-11-15-22(16-12-19)36-28(34)23-5-1-3-7-25(23)30/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
IYTDLZDLUAPXNV-KBVAKVRCSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.10956 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.11684 220.6
[M+Na]+ 525.09878 226.3
[M-H]- 501.10228 232.4
[M+NH4]+ 520.14338 226.9
[M+K]+ 541.07272 219.7
[M+H-H2O]+ 485.10682 207.5
[M+HCOO]- 547.10776 239.5
[M+CH3COO]- 561.12341 244.4
[M+Na-2H]- 523.08423 221.2
[M]+ 502.10901 224.6
[M]- 502.11011 224.6
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.