CID 3701153

298690-84-3

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC(NC1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2
InChIKey
GSOGADJIIMVREB-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

215.09218 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 144.1
[M+Na]+ 238.08140 151.1
[M-H]- 214.08490 143.9
[M+NH4]+ 233.12600 162.3
[M+K]+ 254.05534 146.6
[M+H-H2O]+ 198.08944 135.0
[M+HCOO]- 260.09038 159.8
[M+CH3COO]- 274.10603 182.7
[M+Na-2H]- 236.06685 147.0
[M]+ 215.09163 135.1
[M]- 215.09273 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe