CID 2777786

87394-63-6

Structural Information

Molecular Formula

C₁₀H₁₂F₃N₃

SMILES

C1CN(CCN1)C2=C(C=CC=N2)C(F)(F)F

InChI

InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2

InChIKey

FRFKCMNQNNNZNO-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)pyridin-2-yl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 407
Patents: 231.09833 Da
Monoisotopic Mass: 1.5
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]+	232.10561	152.3
[M+Na]+	254.08755	161.2
[M+NH4]+	249.13215	157.2
[M+K]+	270.06149	156.0
[M-H]-	230.09105	149.4
[M+Na-2H]-	252.07300	157.0
[M]+	231.09778	152.3
[M]-	231.09888	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe