CID 1519468

(2r)-2-(4-fluorophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

C1CN[C@@H](CN1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2/t10-/m0/s1

InChIKey

NZAKSEMIIIZYEM-JTQLQIEISA-N

Compound name

(2R)-2-(4-fluorophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 180.10628 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]+	181.113556	139.4
[M+Na]+	203.095498	144.9
[M-H]-	179.099004	138.5
[M+NH4]+	198.140103	154.9
[M+K]+	219.069438	139.9
[M+H-H2O]+	163.103540	130.7
[M+HCOO]-	225.104481	154.1
[M+CH3COO]-	239.120131	149.6
[M+Na-2H]-	201.080946	144.4
[M]+	180.10573142	129.4
[M]-	180.10682858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe