CID 798653

45965-30-8

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

CC(=O)NC1=NC=C(C=C1)Cl

InChI

InChI=1S/C7H7ClN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)

InChIKey

MCCVKQDZALWIQD-UHFFFAOYSA-N

Compound name

N-(5-chloropyridin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 60
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	131.4
[M+Na]+	193.01391	140.6
[M-H]-	169.01741	134.0
[M+NH4]+	188.05851	151.3
[M+K]+	208.98785	137.4
[M+H-H2O]+	153.02195	125.8
[M+HCOO]-	215.02289	151.2
[M+CH3COO]-	229.03854	179.0
[M+Na-2H]-	190.99936	138.7
[M]+	170.02414	132.7
[M]-	170.02524	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe