CID 827315

Pyrrolidine, 1-(2-(1,1-bis(4-fluorophenyl)ethoxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H23F2NO
SMILES
CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)OCCN3CCCC3
InChI
InChI=1S/C20H23F2NO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h4-11H,2-3,12-15H2,1H3
InChIKey
GHZNNDWKJRHDCK-UHFFFAOYSA-N
Compound name
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

331.17477 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18205 183.3
[M+Na]+ 354.16399 194.4
[M+NH4]+ 349.20859 190.2
[M+K]+ 370.13793 188.0
[M-H]- 330.16749 185.4
[M+Na-2H]- 352.14944 190.3
[M]+ 331.17422 185.4
[M]- 331.17532 185.4
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.