CID 294959

4'-fluoropropionanilide

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H10FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

InChIKey

MXCKOVUKAAUIQS-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 167.07465 Da
Monoisotopic Mass: 1.7
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]+	168.08193	132.8
[M+Na]+	190.06387	140.4
[M-H]-	166.06737	135.4
[M+NH4]+	185.10847	153.2
[M+K]+	206.03781	138.4
[M+H-H2O]+	150.07191	126.1
[M+HCOO]-	212.07285	156.8
[M+CH3COO]-	226.08850	181.3
[M+Na-2H]-	188.04932	138.8
[M]+	167.07410	131.2
[M]-	167.07520	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe