CID 3045446

1-(p-fluorobenzyl)-2-pyrrolidinone

Structural Information

Molecular Formula

C₁₁H₁₂FNO

SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C11H12FNO/c12-10-5-3-9(4-6-10)8-13-7-1-2-11(13)14/h3-6H,1-2,7-8H2

InChIKey

KZKRGOSWLGSOEZ-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 193.09029 Da
Monoisotopic Mass: 1.4
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]+	194.097566	139.7
[M+Na]+	216.079508	147.7
[M-H]-	192.083014	143.7
[M+NH4]+	211.124113	159.6
[M+K]+	232.053448	144.5
[M+H-H2O]+	176.087550	131.8
[M+HCOO]-	238.088491	161.1
[M+CH3COO]-	252.104141	182.3
[M+Na-2H]-	214.064956	142.8
[M]+	193.08974142	136.6
[M]-	193.09083858	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe