CID 4128171

Kkl-35

Structural Information

Molecular Formula

C₁₅H₉ClFN₃O₂

SMILES

C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)

InChIKey

ZIICPNCCHIUJSX-UHFFFAOYSA-N

Compound name

4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 11
Patents: 317.03674 Da
Monoisotopic Mass: 3.3
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]+	318.04402	169.1
[M+Na]+	340.02596	183.9
[M+NH4]+	335.07056	175.9
[M+K]+	355.99990	178.6
[M-H]-	316.02946	174.0
[M+Na-2H]-	338.01141	178.0
[M]+	317.03619	172.8
[M]-	317.03729	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe