CID 2774541

2-chloronicotinoyl chloride

Structural Information

Molecular Formula

C₆H₃Cl₂NO

SMILES

C1=CC(=C(N=C1)Cl)C(=O)Cl

InChI

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

InChIKey

RXTRRIFWCJEMEL-UHFFFAOYSA-N

Compound name

2-chloropyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2542
Patents: 174.95917 Da
Monoisotopic Mass: 2.3
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]+	175.966446	126.7
[M+Na]+	197.948388	137.3
[M-H]-	173.951894	128.7
[M+NH4]+	192.992993	146.9
[M+K]+	213.922328	133.1
[M+H-H2O]+	157.956430	122.3
[M+HCOO]-	219.957371	140.6
[M+CH3COO]-	233.973021	176.8
[M+Na-2H]-	195.933836	133.5
[M]+	174.95862142	129.3
[M]-	174.95971858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe