CID 9672205

4-(2-((3,4-dichloroanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2-fluorobenzoate

Structural Information

Molecular Formula
C22H14Cl2FN3O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C22H14Cl2FN3O4/c23-17-10-7-14(11-18(17)24)27-20(29)21(30)28-26-12-13-5-8-15(9-6-13)32-22(31)16-3-1-2-4-19(16)25/h1-12H,(H,27,29)(H,28,30)/b26-12+
InChIKey
OXRGKSKOWFBYEN-RPPGKUMJSA-N
Compound name
[4-[(E)-[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.03455 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.04183 203.8
[M+Na]+ 496.02377 216.5
[M+NH4]+ 491.06837 208.8
[M+K]+ 511.99771 208.9
[M-H]- 472.02727 208.4
[M+Na-2H]- 494.00922 212.0
[M]+ 473.03400 207.2
[M]- 473.03510 207.2
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.