CID 18541698

2-(difluoromethoxy)pyridin-4-ol

Structural Information

Molecular Formula

C₆H₅F₂NO₂

SMILES

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

InChI

InChI=1S/C6H5F2NO2/c7-6(8)11-5-3-4(10)1-2-9-5/h1-3,6H,(H,9,10)

InChIKey

VYLOASWLEVJLKI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 161.02884 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]+	162.03612	125.3
[M+Na]+	184.01806	134.6
[M-H]-	160.02156	124.1
[M+NH4]+	179.06266	144.0
[M+K]+	199.99200	132.4
[M+H-H2O]+	144.02610	117.6
[M+HCOO]-	206.02704	145.6
[M+CH3COO]-	220.04269	172.9
[M+Na-2H]-	182.00351	131.6
[M]+	161.02829	122.4
[M]-	161.02939	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe