CID 130088835

2-(trifluoromethoxy)pyridin-4-ol

Structural Information

Molecular Formula

C₆H₄F₃NO₂

SMILES

C1=CNC(=CC1=O)OC(F)(F)F

InChI

InChI=1S/C6H4F3NO2/c7-6(8,9)12-5-3-4(11)1-2-10-5/h1-3H,(H,10,11)

InChIKey

GINSPHNXUOOLFN-UHFFFAOYSA-N

Compound name

2-(trifluoromethoxy)-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 179.01941 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]+	180.026686	128.6
[M+Na]+	202.008628	138.6
[M-H]-	178.012134	126.2
[M+NH4]+	197.053233	146.7
[M+K]+	217.982568	135.9
[M+H-H2O]+	162.016670	120.5
[M+HCOO]-	224.017611	147.2
[M+CH3COO]-	238.033261	174.5
[M+Na-2H]-	199.994076	136.1
[M]+	179.01886142	124.4
[M]-	179.01995858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe