CID 17961143

2825008-56-6

Structural Information

Molecular Formula

C₁₁H₁₅FN₂

SMILES

CN1CCNCC1C2=CC=C(C=C2)F

InChI

InChI=1S/C11H15FN2/c1-14-7-6-13-8-11(14)9-2-4-10(12)5-3-9/h2-5,11,13H,6-8H2,1H3

InChIKey

OCWJMPPDFGXEOY-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 194.12193 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]+	195.129206	143.7
[M+Na]+	217.111148	150.0
[M-H]-	193.114654	144.3
[M+NH4]+	212.155753	159.6
[M+K]+	233.085088	145.7
[M+H-H2O]+	177.119190	134.6
[M+HCOO]-	239.120131	159.5
[M+CH3COO]-	253.135781	154.5
[M+Na-2H]-	215.096596	147.8
[M]+	194.12138142	136.2
[M]-	194.12247858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe