CID 2774022

2,6-dichloro-5-fluoronicotinamide

Structural Information

Molecular Formula

C₆H₃Cl₂FN₂O

SMILES

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

InChI

InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)

InChIKey

ZVYNUGSPFZCYEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 619
Patents: 207.96065 Da
Monoisotopic Mass: 1.8
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]+	208.96793	133.9
[M+Na]+	230.94987	145.5
[M-H]-	206.95337	134.6
[M+NH4]+	225.99447	152.7
[M+K]+	246.92381	140.4
[M+H-H2O]+	190.95791	128.8
[M+HCOO]-	252.95885	147.2
[M+CH3COO]-	266.97450	185.8
[M+Na-2H]-	228.93532	137.9
[M]+	207.96010	134.6
[M]-	207.96120	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe