CID 487734

Akos018087515

Structural Information

Molecular Formula

C₁₃H₉F₂NO₂

SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)F)O)F

InChI

InChI=1S/C13H9F2NO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17/h1-7,17H,(H,16,18)

InChIKey

PTFGWPWZWPTHFM-UHFFFAOYSA-N

Compound name

5-fluoro-N-(4-fluorophenyl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.06013 Da
Monoisotopic Mass: 3.5
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]+	250.06741	150.7
[M+Na]+	272.04935	159.4
[M-H]-	248.05285	154.2
[M+NH4]+	267.09395	167.0
[M+K]+	288.02329	154.9
[M+H-H2O]+	232.05739	141.9
[M+HCOO]-	294.05833	172.5
[M+CH3COO]-	308.07398	193.7
[M+Na-2H]-	270.03480	154.6
[M]+	249.05958	147.3
[M]-	249.06068	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.