CID 50989357

2803861-93-8

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC(NC1)(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10(7-4-8-15-10)9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2
InChIKey
SFSYMZXWRKWMMD-UHFFFAOYSA-N
Compound name
2-phenyl-2-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 144.4
[M+Na]+ 238.081398 151.5
[M-H]- 214.084904 144.2
[M+NH4]+ 233.126003 164.3
[M+K]+ 254.055338 147.2
[M+H-H2O]+ 198.089440 135.6
[M+HCOO]- 260.090381 160.2
[M+CH3COO]- 274.106031 181.2
[M+Na-2H]- 236.066846 149.0
[M]+ 215.09163142 135.3
[M]- 215.09272858 135.3
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.