CID 119031658

5-bromo-3-chloro-1-(difluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula

C₆H₃BrClF₂NO

SMILES

C1=C(C(=O)N(C=C1Br)C(F)F)Cl

InChI

InChI=1S/C6H3BrClF2NO/c7-3-1-4(8)5(12)11(2-3)6(9)10/h1-2,6H

InChIKey

WRDYMDCPCPHWFN-UHFFFAOYSA-N

Compound name

5-bromo-3-chloro-1-(difluoromethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.90546 Da
Monoisotopic Mass: 2.6
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]+	257.912736	135.6
[M+Na]+	279.894678	151.0
[M-H]-	255.898184	139.1
[M+NH4]+	274.939283	156.4
[M+K]+	295.868618	138.1
[M+H-H2O]+	239.902720	135.0
[M+HCOO]-	301.903661	150.5
[M+CH3COO]-	315.919311	189.7
[M+Na-2H]-	277.880126	141.8
[M]+	256.90491142	154.4
[M]-	256.90600858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.