CID 46837494

845617-30-3

Structural Information

Molecular Formula

C₁₀H₁₂F₃N₃

SMILES

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

InChI

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

InChIKey

FCNLATMNOJLXID-UHFFFAOYSA-N

Compound name

1-[6-(trifluoromethyl)pyridin-3-yl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 231.09833 Da
Monoisotopic Mass: 1.2
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

No literature data available for this compound.

Patent stripe

patents stripe