CID 10822557

3-[3-(trifluoromethyl)phenyl]pyrrolidine

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

96
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 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

No literature data available for this compound.

Patent stripe

patents stripe