CID 9628126

4-(2-((2,3-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=C(C(=CC=C3)Cl)Cl)F
InChI
InChI=1S/C22H14Cl2FN3O4/c23-16-5-3-7-18(19(16)24)27-20(29)21(30)28-26-12-13-8-10-14(11-9-13)32-22(31)15-4-1-2-6-17(15)25/h1-12H,(H,27,29)(H,28,30)/b26-12+
InChIKey
BQXVWTRFWWVRES-RPPGKUMJSA-N
Compound name
[4-[(E)-[[2-(2,3-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 206.9
[M+Na]+ 496.02377 214.0
[M-H]- 472.02727 216.0
[M+NH4]+ 491.06837 215.6
[M+K]+ 511.99771 207.9
[M+H-H2O]+ 456.03181 197.2
[M+HCOO]- 518.03275 222.5
[M+CH3COO]- 532.04840 238.8
[M+Na-2H]- 494.00922 207.1
[M]+ 473.03400 211.6
[M]- 473.03510 211.6
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.