CID 63075626

3-(3,4,5-trifluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H10F3N
SMILES
C1CNCC1C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C10H10F3N/c11-8-3-7(4-9(12)10(8)13)6-1-2-14-5-6/h3-4,6,14H,1-2,5H2
InChIKey
HHSDWOQIXNBUGL-UHFFFAOYSA-N
Compound name
3-(3,4,5-trifluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.083816 138.6
[M+Na]+ 224.065758 147.4
[M-H]- 200.069264 138.9
[M+NH4]+ 219.110363 157.7
[M+K]+ 240.039698 142.6
[M+H-H2O]+ 184.073800 129.5
[M+HCOO]- 246.074741 156.2
[M+CH3COO]- 260.090391 182.2
[M+Na-2H]- 222.051206 139.9
[M]+ 201.07599142 130.6
[M]- 201.07708858 130.6
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

No patent data available for this compound.