CID 21810045

1-(2,2,2-trifluoroethyl)pyrrolidine

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CCN(C1)CC(F)(F)F
InChI
InChI=1S/C6H10F3N/c7-6(8,9)5-10-3-1-2-4-10/h1-5H2
InChIKey
AWBHBKLZORKFQZ-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

153.07654 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 128.7
[M+Na]+ 176.065758 135.7
[M-H]- 152.069264 126.5
[M+NH4]+ 171.110363 150.0
[M+K]+ 192.039698 134.5
[M+H-H2O]+ 136.073800 120.5
[M+HCOO]- 198.074741 145.9
[M+CH3COO]- 212.090391 173.9
[M+Na-2H]- 174.051206 132.9
[M]+ 153.07599142 121.6
[M]- 153.07708858 121.6
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