CID 5086457

2-chloro-n-(pyridin-3-yl)acetamide hydrochloride

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

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

InChI

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

InChIKey

FTVOPJWASFGKBY-UHFFFAOYSA-N

Compound name

2-chloro-N-pyridin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 83
Patents: 170.02469 Da
Monoisotopic Mass: 1.0
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	131.8
[M+Na]+	193.01391	144.7
[M+NH4]+	188.05851	140.3
[M+K]+	208.98785	138.1
[M-H]-	169.01741	133.7
[M+Na-2H]-	190.99936	139.5
[M]+	170.02414	134.3
[M]-	170.02524	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe