CID 11522099

887707-23-5

Structural Information

Molecular Formula

C₆H₃F₃INO

SMILES

C1=C(C(=O)NC=C1I)C(F)(F)F

InChI

InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)

InChIKey

ACMILMILHHLANU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 288.92114 Da
Monoisotopic Mass: 1.3
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]+	289.92842	146.7
[M+Na]+	311.91036	149.5
[M+NH4]+	306.95496	148.0
[M+K]+	327.88430	147.8
[M-H]-	287.91386	137.4
[M+Na-2H]-	309.89581	139.3
[M]+	288.92059	143.2
[M]-	288.92169	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe