CID 129318431

2734416-95-4

Structural Information

Molecular Formula

C₂₆H₂₆F₂N₂

SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=CC=C4F

InChI

InChI=1S/C26H26F2N2/c27-23-14-12-22(13-15-23)26(24-10-4-5-11-25(24)28)30-19-17-29(18-20-30)16-6-9-21-7-2-1-3-8-21/h1-15,26H,16-20H2/b9-6+

InChIKey

JIEUHXPBQRNCKS-RMKNXTFCSA-N

Compound name

1-[(2-fluorophenyl)-(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 404.2064 Da
Monoisotopic Mass: 6.0
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]+	405.213676	201.7
[M+Na]+	427.195618	205.3
[M-H]-	403.199124	206.8
[M+NH4]+	422.240223	208.1
[M+K]+	443.169558	196.0
[M+H-H2O]+	387.203660	186.5
[M+HCOO]-	449.204601	214.1
[M+CH3COO]-	463.220251	207.7
[M+Na-2H]-	425.181066	200.1
[M]+	404.20585142	193.5
[M]-	404.20694858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.