CID 2782839

2-(trifluoromethyl)pyrrolidine

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CC(NC1)C(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2
InChIKey
VINAMCOZNJHNIH-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1085
Patents

139.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 132.8
[M+Na]+ 162.05010 139.3
[M+NH4]+ 157.09470 138.7
[M+K]+ 178.02404 136.4
[M-H]- 138.05360 128.3
[M+Na-2H]- 160.03555 134.8
[M]+ 139.06033 131.9
[M]- 139.06143 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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