CID 2873560

1-(3-fluorobenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃FN₂O

SMILES

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

InChI

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

InChIKey

KXFXHXPKGLLUGX-UHFFFAOYSA-N

Compound name

(3-fluorophenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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]+	209.108476	145.9
[M+Na]+	231.090418	151.3
[M-H]-	207.093924	146.3
[M+NH4]+	226.135023	160.8
[M+K]+	247.064358	147.5
[M+H-H2O]+	191.098460	136.6
[M+HCOO]-	253.099401	161.1
[M+CH3COO]-	267.115051	182.0
[M+Na-2H]-	229.075866	149.6
[M]+	208.10065142	138.1
[M]-	208.10174858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe