CID 121718

30459-17-7

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂

SMILES

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

InChI

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

InChIKey

IBQMAPSJLHRQPE-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1484
Patents: 230.10309 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]+	231.11037	150.0
[M+Na]+	253.09231	156.0
[M-H]-	229.09581	147.8
[M+NH4]+	248.13691	164.1
[M+K]+	269.06625	151.1
[M+H-H2O]+	213.10035	139.3
[M+HCOO]-	275.10129	162.0
[M+CH3COO]-	289.11694	185.8
[M+Na-2H]-	251.07776	154.2
[M]+	230.10254	139.2
[M]-	230.10364	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe