CID 200336

1-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)pyrrolidine fumarate

Structural Information

Molecular Formula
C20H22F3NO
SMILES
C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3NO/c21-20(22,23)18-10-8-17(9-11-18)19(16-6-2-1-3-7-16)25-15-14-24-12-4-5-13-24/h1-3,6-11,19H,4-5,12-15H2
InChIKey
MINAIPGPDSYODO-UHFFFAOYSA-N
Compound name
1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.16534 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17262 182.1
[M+Na]+ 372.15456 186.5
[M-H]- 348.15806 185.4
[M+NH4]+ 367.19916 194.7
[M+K]+ 388.12850 181.0
[M+H-H2O]+ 332.16260 170.1
[M+HCOO]- 394.16354 196.7
[M+CH3COO]- 408.17919 210.7
[M+Na-2H]- 370.14001 181.6
[M]+ 349.16479 176.4
[M]- 349.16589 176.4
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.