CID 2782165

6-chloronicotinoyl chloride

Structural Information

Molecular Formula

C₆H₃Cl₂NO

SMILES

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

InChI

InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-3H

InChIKey

FMEBIWNKYZUWFV-UHFFFAOYSA-N

Compound name

6-chloropyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2462
Patents: 174.95917 Da
Monoisotopic Mass: 3.6
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]+	175.96645	126.7
[M+Na]+	197.94839	137.3
[M-H]-	173.95189	128.7
[M+NH4]+	192.99299	146.9
[M+K]+	213.92233	133.1
[M+H-H2O]+	157.95643	122.3
[M+HCOO]-	219.95737	140.6
[M+CH3COO]-	233.97302	176.8
[M+Na-2H]-	195.93384	133.5
[M]+	174.95862	129.3
[M]-	174.95972	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe