CID 9575787

2',4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid (4-nitrobenzylidene) hydrazide

Structural Information

Molecular Formula
C20H13F2N3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=C(C=CC(=C2)C3=C(C=C(C=C3)F)F)O)[N+](=O)[O-]
InChI
InChI=1S/C20H13F2N3O4/c21-14-4-7-16(18(22)10-14)13-3-8-19(26)17(9-13)20(27)24-23-11-12-1-5-15(6-2-12)25(28)29/h1-11,26H,(H,24,27)/b23-11+
InChIKey
BYDQOUBDVNHMNF-FOKLQQMPSA-N
Compound name
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.0874 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.09468 188.5
[M+Na]+ 420.07662 194.3
[M-H]- 396.08012 195.8
[M+NH4]+ 415.12122 197.4
[M+K]+ 436.05056 184.9
[M+H-H2O]+ 380.08466 180.8
[M+HCOO]- 442.08560 212.2
[M+CH3COO]- 456.10125 220.4
[M+Na-2H]- 418.06207 192.2
[M]+ 397.08685 184.7
[M]- 397.08795 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.