CID 69019216

1184172-38-0

Structural Information

Molecular Formula

SMILES

COC1=C(NC=CC1=O)F

InChI

InChI=1S/C6H6FNO2/c1-10-5-4(9)2-3-8-6(5)7/h2-3H,1H3,(H,8,9)

InChIKey

PHSWJSDXCJXFTL-UHFFFAOYSA-N

Compound name

2-fluoro-3-methoxy-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.03825 Da
Monoisotopic Mass: 0.6
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]+	144.04553	122.2
[M+Na]+	166.02747	132.6
[M-H]-	142.03097	122.7
[M+NH4]+	161.07207	142.1
[M+K]+	182.00141	130.4
[M+H-H2O]+	126.03551	115.7
[M+HCOO]-	188.03645	144.5
[M+CH3COO]-	202.05210	170.4
[M+Na-2H]-	164.01292	129.6
[M]+	143.03770	121.5
[M]-	143.03880	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe