CID 79729

4-ffp-2hcl

Structural Information

Molecular Formula

C₂₀H₂₄F₂N₂

SMILES

C1CN(CCN1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24F2N2/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24/h3-10,20,23H,1-2,11-15H2

InChIKey

XMRZXPIHMZRNQC-UHFFFAOYSA-N

Compound name

1-[4,4-bis(4-fluorophenyl)butyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 98
Patents: 330.19077 Da
Monoisotopic Mass: 3.9
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]+	331.19805	183.3
[M+Na]+	353.17999	195.0
[M+NH4]+	348.22459	189.8
[M+K]+	369.15393	186.3
[M-H]-	329.18349	185.6
[M+Na-2H]-	351.16544	190.3
[M]+	330.19022	185.4
[M]-	330.19132	185.4

Literature stripe

literature stripe

Patent stripe

patents stripe