CID 200056

Vufb-10674

Structural Information

Molecular Formula

C₂₂H₂₈F₂N₂O

SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCO

InChI

InChI=1S/C22H28F2N2O/c23-20-7-3-18(4-8-20)22(19-5-9-21(24)10-6-19)2-1-11-25-12-14-26(15-13-25)16-17-27/h3-10,22,27H,1-2,11-17H2

InChIKey

IXMGZALFRULINR-UHFFFAOYSA-N

Compound name

2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 374.21698 Da
Monoisotopic Mass: 3.7
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]+	375.22426	193.0
[M+Na]+	397.20620	196.3
[M-H]-	373.20970	194.2
[M+NH4]+	392.25080	200.8
[M+K]+	413.18014	189.1
[M+H-H2O]+	357.21424	179.8
[M+HCOO]-	419.21518	204.3
[M+CH3COO]-	433.23083	217.1
[M+Na-2H]-	395.19165	191.0
[M]+	374.21643	186.7
[M]-	374.21753	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe