CID 131256316

3-phenyl-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CNCC1(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10(6-7-15-8-10)9-4-2-1-3-5-9/h1-5,15H,6-8H2
InChIKey
FWTHGVFLVUXJIT-UHFFFAOYSA-N
Compound name
3-phenyl-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 150.4
[M+Na]+ 238.08140 158.6
[M+NH4]+ 233.12600 157.9
[M+K]+ 254.05534 152.7
[M-H]- 214.08490 148.3
[M+Na-2H]- 236.06685 156.4
[M]+ 215.09163 150.8
[M]- 215.09273 150.8
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.