CID 18337164

3-(2-(trifluoromethyl)phenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CNCC1C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10-4-2-1-3-9(10)8-5-6-15-7-8/h1-4,8,15H,5-7H2
InChIKey
BHQVEKYUXFSYAH-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

215.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 151.4
[M+Na]+ 238.08140 159.8
[M+NH4]+ 233.12600 157.6
[M+K]+ 254.05534 155.5
[M-H]- 214.08490 149.4
[M+Na-2H]- 236.06685 155.7
[M]+ 215.09163 151.7
[M]- 215.09273 151.7
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