CID 725436

3-chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₆H₃ClF₃NO

SMILES

C1=C(C(=O)NC=C1C(F)(F)F)Cl

InChI

InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

InChIKey

AJPOOWWMZOPUCG-UHFFFAOYSA-N

Compound name

3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 186
Patents: 196.98552 Da
Monoisotopic Mass: 1.5
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]+	197.99280	129.4
[M+Na]+	219.97474	141.2
[M-H]-	195.97824	127.3
[M+NH4]+	215.01934	148.1
[M+K]+	235.94868	136.1
[M+H-H2O]+	179.98278	122.5
[M+HCOO]-	241.98372	143.3
[M+CH3COO]-	255.99937	177.5
[M+Na-2H]-	217.96019	135.9
[M]+	196.98497	126.2
[M]-	196.98607	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe