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]+ 202.08382 138.6
[M+Na]+ 224.06576 147.4
[M-H]- 200.06926 138.9
[M+NH4]+ 219.11036 157.7
[M+K]+ 240.03970 142.6
[M+H-H2O]+ 184.07380 129.5
[M+HCOO]- 246.07474 156.2
[M+CH3COO]- 260.09039 182.2
[M+Na-2H]- 222.05121 139.9
[M]+ 201.07599 130.6
[M]- 201.07709 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.