CID 10822557

21767-35-1

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CNCC1C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-2-8(6-10)9-4-5-15-7-9/h1-3,6,9,15H,4-5,7H2
InChIKey
DUYDZGBSZJZIOZ-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

215.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 144.1
[M+Na]+ 238.081398 151.1
[M-H]- 214.084904 143.9
[M+NH4]+ 233.126003 162.3
[M+K]+ 254.055338 146.6
[M+H-H2O]+ 198.089440 135.0
[M+HCOO]- 260.090381 159.8
[M+CH3COO]- 274.106031 182.7
[M+Na-2H]- 236.066846 147.0
[M]+ 215.09163142 135.1
[M]- 215.09272858 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

No literature data available for this compound.

Patent stripe

patents stripe