CID 89609715

1355729-47-3

Structural Information

Molecular Formula

C₆H₄ClF₂NO

SMILES

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

InChI

InChI=1S/C6H4ClF2NO/c7-5-3(6(8)9)1-2-4(11)10-5/h1-2,6H,(H,10,11)

InChIKey

QSYHTAVARZNAMG-UHFFFAOYSA-N

Compound name

6-chloro-5-(difluoromethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.99495 Da
Monoisotopic Mass: 1.2
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]+	180.00223	126.0
[M+Na]+	201.98417	137.0
[M-H]-	177.98767	125.0
[M+NH4]+	197.02877	145.3
[M+K]+	217.95811	132.4
[M+H-H2O]+	161.99221	119.6
[M+HCOO]-	223.99315	141.6
[M+CH3COO]-	238.00880	175.9
[M+Na-2H]-	199.96962	131.3
[M]+	178.99440	124.1
[M]-	178.99550	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe