CID 72213118

5-pyrrolidin-2-yl-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C10H11F3N2
SMILES
C1CC(NC1)C2=CN=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H11F3N2/c11-10(12,13)9-4-3-7(6-15-9)8-2-1-5-14-8/h3-4,6,8,14H,1-2,5H2
InChIKey
KYYMZHCOPNZONI-UHFFFAOYSA-N
Compound name
5-pyrrolidin-2-yl-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.08743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09471 144.1
[M+Na]+ 239.07665 151.4
[M-H]- 215.08015 142.5
[M+NH4]+ 234.12125 160.8
[M+K]+ 255.05059 147.1
[M+H-H2O]+ 199.08469 134.1
[M+HCOO]- 261.08563 158.7
[M+CH3COO]- 275.10128 182.4
[M+Na-2H]- 237.06210 147.3
[M]+ 216.08688 135.2
[M]- 216.08798 135.2
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

No patent data available for this compound.