CID 771862

102391-98-0

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O

SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)F

InChI

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

InChIKey

OITKVXMAEXNRRK-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 139
Patents: 208.1012 Da
Monoisotopic Mass: 0.8
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]+	209.10848	147.6
[M+Na]+	231.09042	158.9
[M+NH4]+	226.13502	154.7
[M+K]+	247.06436	152.7
[M-H]-	207.09392	148.5
[M+Na-2H]-	229.07587	153.8
[M]+	208.10065	149.1
[M]-	208.10175	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe