CID 1873396

537037-78-8

Structural Information

Molecular Formula

C₁₃H₁₉FN₂O

SMILES

C1CN(CCN1)CCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C13H19FN2O/c14-12-2-4-13(5-3-12)17-11-1-8-16-9-6-15-7-10-16/h2-5,15H,1,6-11H2

InChIKey

KUBAKABDMNMEGZ-UHFFFAOYSA-N

Compound name

1-[3-(4-fluorophenoxy)propyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 238.14815 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]+	239.15543	157.3
[M+Na]+	261.13737	168.5
[M+NH4]+	256.18197	164.5
[M+K]+	277.11131	161.1
[M-H]-	237.14087	158.5
[M+Na-2H]-	259.12282	163.4
[M]+	238.14760	159.0
[M]-	238.14870	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe