CID 2733849

2,6-dichloro-5-fluoro-3-pyridinecarbonitrile

Structural Information

Molecular Formula

C₆HCl₂FN₂

SMILES

C1=C(C(=NC(=C1F)Cl)Cl)C#N

InChI

InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H

InChIKey

DEDKKOOGYIMMBC-UHFFFAOYSA-N

Compound name

2,6-dichloro-5-fluoropyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 860
Patents: 189.95009 Da
Monoisotopic Mass: 2.6
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]+	190.95737	127.8
[M+Na]+	212.93931	141.8
[M-H]-	188.94281	128.6
[M+NH4]+	207.98391	145.9
[M+K]+	228.91325	136.3
[M+H-H2O]+	172.94735	116.4
[M+HCOO]-	234.94829	138.7
[M+CH3COO]-	248.96394	193.1
[M+Na-2H]-	210.92476	133.6
[M]+	189.94954	124.7
[M]-	189.95064	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe