CID 77418

1-(3-fluorophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

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

InChI

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

InChIKey

KIFCSMQTGWVMOD-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 532
Patents: 180.10628 Da
Monoisotopic Mass: 1.2
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]+	181.11356	140.7
[M+Na]+	203.09550	153.0
[M+NH4]+	198.14010	148.9
[M+K]+	219.06944	145.7
[M-H]-	179.09900	142.5
[M+Na-2H]-	201.08095	148.0
[M]+	180.10573	142.7
[M]-	180.10683	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe