CID 12263984

58584-83-1

Structural Information

Molecular Formula

C₆H₂Cl₃NO

SMILES

C1=CC(=NC(=C1C(=O)Cl)Cl)Cl

InChI

InChI=1S/C6H2Cl3NO/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H

InChIKey

JHMHYTKDALCQSZ-UHFFFAOYSA-N

Compound name

2,6-dichloropyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 208.9202 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]+	209.92748	135.5
[M+Na]+	231.90942	151.0
[M+NH4]+	226.95402	144.4
[M+K]+	247.88336	143.5
[M-H]-	207.91292	136.8
[M+Na-2H]-	229.89487	143.0
[M]+	208.91965	139.0
[M]-	208.92075	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe