CID 9575779

2', 4'-difluoro-4-hydroxy-biphenyl-3-carboxylic acid (5-nitro-2-furfurylidene)-hydrazide

Structural Information

Molecular Formula
C18H11F2N3O5
SMILES
C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-])O
InChI
InChI=1S/C18H11F2N3O5/c19-11-2-4-13(15(20)8-11)10-1-5-16(24)14(7-10)18(25)22-21-9-12-3-6-17(28-12)23(26)27/h1-9,24H,(H,22,25)/b21-9+
InChIKey
BTKDUJWQOAKMNB-ZVBGSRNCSA-N
Compound name
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.06668 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.07396 184.9
[M+Na]+ 410.05590 191.4
[M-H]- 386.05940 193.7
[M+NH4]+ 405.10050 194.8
[M+K]+ 426.02984 183.9
[M+H-H2O]+ 370.06394 178.5
[M+HCOO]- 432.06488 209.5
[M+CH3COO]- 446.08053 216.7
[M+Na-2H]- 408.04135 188.5
[M]+ 387.06613 183.2
[M]- 387.06723 183.2
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.