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 179.1
[M+Na]+ 354.16399 184.6
[M-H]- 330.16749 184.1
[M+NH4]+ 349.20859 192.8
[M+K]+ 370.13793 179.0
[M+H-H2O]+ 314.17203 168.2
[M+HCOO]- 376.17297 195.8
[M+CH3COO]- 390.18862 209.0
[M+Na-2H]- 352.14944 179.6
[M]+ 331.17422 175.6
[M]- 331.17532 175.6
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.