CID 119019439

1-(difluoromethyl)-5-iodopyridin-2(1h)-one

Structural Information

Molecular Formula

C₆H₄F₂INO

SMILES

C1=CC(=O)N(C=C1I)C(F)F

InChI

InChI=1S/C6H4F2INO/c7-6(8)10-3-4(9)1-2-5(10)11/h1-3,6H

InChIKey

OSHJXXACVJHKQI-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)-5-iodopyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.93057 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]+	271.93785	130.7
[M+Na]+	293.91979	133.9
[M-H]-	269.92329	124.3
[M+NH4]+	288.96439	145.5
[M+K]+	309.89373	137.8
[M+H-H2O]+	253.92783	119.7
[M+HCOO]-	315.92877	147.1
[M+CH3COO]-	329.94442	186.3
[M+Na-2H]-	291.90524	124.7
[M]+	270.93002	126.4
[M]-	270.93112	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe