CID 4296

15532-75-9

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂

SMILES

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

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2

InChIKey

KKIMDKMETPPURN-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)phenyl]piperazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 314
References: 8007
Patents: 230.10309 Da
Monoisotopic Mass: 2.3
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]+	231.11037	153.6
[M+Na]+	253.09231	162.6
[M+NH4]+	248.13691	159.2
[M+K]+	269.06625	156.9
[M-H]-	229.09581	151.5
[M+Na-2H]-	251.07776	158.4
[M]+	230.10254	153.9
[M]-	230.10364	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe