CID 667619

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

Structural Information

Molecular Formula
C10H11ClF3N3
SMILES
C1CN(CCN1)C2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2
InChIKey
RRIPRMGRQRYRRG-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

235
Patents

265.05936 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06664 155.2
[M+Na]+ 288.04858 163.2
[M-H]- 264.05208 151.8
[M+NH4]+ 283.09318 167.6
[M+K]+ 304.02252 156.7
[M+H-H2O]+ 248.05662 144.1
[M+HCOO]- 310.05756 161.4
[M+CH3COO]- 324.07321 190.6
[M+Na-2H]- 286.03403 158.7
[M]+ 265.05881 147.0
[M]- 265.05991 147.0
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