CID 667618

1-(5-trifluoromethyl-pyridin-2-yl)-piperazine

Structural Information

Molecular Formula
C10H12F3N3
SMILES
C1CN(CCN1)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
InChIKey
BNMSJUIMZULLAS-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

756
Patents

231.09833 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10561 150.6
[M+Na]+ 254.08755 157.1
[M-H]- 230.09105 147.1
[M+NH4]+ 249.13215 163.3
[M+K]+ 270.06149 152.2
[M+H-H2O]+ 214.09559 139.1
[M+HCOO]- 276.09653 161.5
[M+CH3COO]- 290.11218 185.7
[M+Na-2H]- 252.07300 155.3
[M]+ 231.09778 140.0
[M]- 231.09888 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe