CID 3011454

Schembl30600561

Structural Information

Molecular Formula

C₁₂H₈ClFN₂O

SMILES

C1=CC(=CC(=C1)F)C(=O)NC2=NC=CC(=C2)Cl

InChI

InChI=1S/C12H8ClFN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)

InChIKey

KRZVKYCTJODUOV-UHFFFAOYSA-N

Compound name

N-(4-chloropyridin-2-yl)-3-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 250.03091 Da
Monoisotopic Mass: 2.7
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]+	251.03819	150.3
[M+Na]+	273.02013	159.7
[M-H]-	249.02363	154.6
[M+NH4]+	268.06473	166.6
[M+K]+	288.99407	154.1
[M+H-H2O]+	233.02817	142.0
[M+HCOO]-	295.02911	168.8
[M+CH3COO]-	309.04476	193.6
[M+Na-2H]-	271.00558	156.2
[M]+	250.03036	150.4
[M]-	250.03146	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe