CID 18538638

333992-67-9

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O

SMILES

C1CN(C(=O)CN1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)8-14-6-5-13-7-11(14)15/h1-4,13H,5-8H2

InChIKey

SXKHEFKMEKHLAS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 208.1012 Da
Monoisotopic Mass: 0.7
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]+	209.108476	145.7
[M+Na]+	231.090418	152.3
[M-H]-	207.093924	146.4
[M+NH4]+	226.135023	160.9
[M+K]+	247.064358	147.9
[M+H-H2O]+	191.098460	136.5
[M+HCOO]-	253.099401	161.9
[M+CH3COO]-	267.115051	182.9
[M+Na-2H]-	229.075866	149.8
[M]+	208.10065142	139.0
[M]-	208.10174858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe