CID 11630005

1-[3-(trifluoromethyl)pyridin-4-yl]piperazine dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

231.09833 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe