CID 792561

N-(3-fluorophenyl)-3-oxobutanamide

Structural Information

Molecular Formula

C₁₀H₁₀FNO₂

SMILES

CC(=O)CC(=O)NC1=CC(=CC=C1)F

InChI

InChI=1S/C10H10FNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14)

InChIKey

WNODWKRJSDXRKS-UHFFFAOYSA-N

Compound name

N-(3-fluorophenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 195.06955 Da
Monoisotopic Mass: 2.0
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]+	196.07683	141.6
[M+Na]+	218.05877	151.9
[M+NH4]+	213.10337	148.3
[M+K]+	234.03271	146.7
[M-H]-	194.06227	141.7
[M+Na-2H]-	216.04422	146.8
[M]+	195.06900	142.7
[M]-	195.07010	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe