CID 200899

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

Structural Information

Molecular Formula
C20H22F3NO
SMILES
C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C20H22F3NO/c21-20(22,23)18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)25-15-14-24-12-6-7-13-24/h1-5,8-11,19H,6-7,12-15H2
InChIKey
KAIWKCAFSPMITQ-UHFFFAOYSA-N
Compound name
1-[2-[phenyl-[2-(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 186.3
[M+Na]+ 372.15456 195.2
[M+NH4]+ 367.19916 191.8
[M+K]+ 388.12850 189.6
[M-H]- 348.15806 186.3
[M+Na-2H]- 370.14001 191.9
[M]+ 349.16479 187.3
[M]- 349.16589 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.