CID 903813

1-(3-fluorobenzyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₅FN₂

SMILES

C1CN(CCN1)CC2=CC(=CC=C2)F

InChI

InChI=1S/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2

InChIKey

ITHBJSRWFNLKIH-UHFFFAOYSA-N

Compound name

1-[(3-fluorophenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 104
Patents: 194.12193 Da
Monoisotopic Mass: 1.6
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]+	195.129206	143.4
[M+Na]+	217.111148	148.8
[M-H]-	193.114654	143.6
[M+NH4]+	212.155753	159.0
[M+K]+	233.085088	144.5
[M+H-H2O]+	177.119190	134.1
[M+HCOO]-	239.120131	159.2
[M+CH3COO]-	253.135781	153.8
[M+Na-2H]-	215.096596	148.3
[M]+	194.12138142	135.5
[M]-	194.12247858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe