CID 2782803

1-[4-(trifluoromethyl)benzyl]piperazine

Structural Information

Molecular Formula

C₁₂H₁₅F₃N₂

SMILES

C1CN(CCN1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2

InChIKey

FAFAFWFQFVLXGF-UHFFFAOYSA-N

Compound name

1-[[4-(trifluoromethyl)phenyl]methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 165
Patents: 244.11873 Da
Monoisotopic Mass: 2.0
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]+	245.12601	154.5
[M+Na]+	267.10795	160.1
[M-H]-	243.11145	152.1
[M+NH4]+	262.15255	168.0
[M+K]+	283.08189	155.0
[M+H-H2O]+	227.11599	143.6
[M+HCOO]-	289.11693	166.1
[M+CH3COO]-	303.13258	188.8
[M+Na-2H]-	265.09340	158.2
[M]+	244.11818	144.1
[M]-	244.11928	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe