CID 82604

Nicotinoyl chloride hydrochloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H

InChIKey

ATBIAJXSKNPHEI-UHFFFAOYSA-N

Compound name

pyridine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 64234
Patents: 140.99814 Da
Monoisotopic Mass: 1.3
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]+	142.00542	122.8
[M+Na]+	163.98736	137.3
[M+NH4]+	159.03196	132.1
[M+K]+	179.96130	130.5
[M-H]-	139.99086	124.6
[M+Na-2H]-	161.97281	131.2
[M]+	140.99759	125.7
[M]-	140.99869	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe