CID 765182

4-fluoro mbzp

Structural Information

Molecular Formula

C₁₂H₁₇FN₂

SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C12H17FN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3

InChIKey

KFMDNJJTGINMCS-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 106
Patents: 208.13757 Da
Monoisotopic Mass: 1.7
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]+	209.144846	147.6
[M+Na]+	231.126788	153.9
[M-H]-	207.130294	149.4
[M+NH4]+	226.171393	163.6
[M+K]+	247.100728	150.3
[M+H-H2O]+	191.134830	138.0
[M+HCOO]-	253.135771	164.5
[M+CH3COO]-	267.151421	187.3
[M+Na-2H]-	229.112236	151.6
[M]+	208.13702142	142.3
[M]-	208.13811858	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe