CID 269825

Nsc111339

Structural Information

Molecular Formula

C₂₀H₁₄F₂N₂O₂

SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H14F2N2O2/c21-15-5-9-17(10-6-15)23-19(25)13-1-2-14(4-3-13)20(26)24-18-11-7-16(22)8-12-18/h1-12H,(H,23,25)(H,24,26)

InChIKey

IGKRBNRCRCSMIE-UHFFFAOYSA-N

Compound name

1-N,4-N-bis(4-fluorophenyl)benzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 352.10233 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.109606	180.6
[M+Na]+	375.091548	186.9
[M-H]-	351.095054	187.7
[M+NH4]+	370.136153	192.1
[M+K]+	391.065488	181.2
[M+H-H2O]+	335.099590	169.0
[M+HCOO]-	397.100531	202.8
[M+CH3COO]-	411.116181	217.8
[M+Na-2H]-	373.076996	182.9
[M]+	352.10178142	176.8
[M]-	352.10287858	176.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.