CID 53911877

Fluorophenylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

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

InChI

InChI=1S/C10H13FN2/c11-10-8-12-6-7-13(10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

InChIKey

IEHZLAPHXYDIED-UHFFFAOYSA-N

Compound name

2-fluoro-1-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 180.10628 Da
Monoisotopic Mass: 1.9
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]+	181.113556	138.9
[M+Na]+	203.095498	144.8
[M-H]-	179.099004	139.3
[M+NH4]+	198.140103	155.1
[M+K]+	219.069438	140.7
[M+H-H2O]+	163.103540	129.8
[M+HCOO]-	225.104481	155.1
[M+CH3COO]-	239.120131	149.8
[M+Na-2H]-	201.080946	144.4
[M]+	180.10573142	130.7
[M]-	180.10682858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.