CID 4382489

2-chloro-n-(pyridin-4-yl)acetamide hydrochloride

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1=CN=CC=C1NC(=O)CCl

InChI

InChI=1S/C7H7ClN2O/c8-5-7(11)10-6-1-3-9-4-2-6/h1-4H,5H2,(H,9,10,11)

InChIKey

IMDDMLBUMBJRQM-UHFFFAOYSA-N

Compound name

2-chloro-N-pyridin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 170.02469 Da
Monoisotopic Mass: 1.1
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]+	171.03197	131.6
[M+Na]+	193.01391	139.8
[M-H]-	169.01741	133.8
[M+NH4]+	188.05851	151.1
[M+K]+	208.98785	136.6
[M+H-H2O]+	153.02195	125.7
[M+HCOO]-	215.02289	151.4
[M+CH3COO]-	229.03854	177.8
[M+Na-2H]-	190.99936	139.6
[M]+	170.02414	132.5
[M]-	170.02524	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe