CID 827316

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

Structural Information

Molecular Formula
C19H21F2NO
SMILES
C1CCN(C1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H21F2NO/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22/h3-10,19H,1-2,11-14H2
InChIKey
RKVNCXMGUVAYEF-UHFFFAOYSA-N
Compound name
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

317.15912 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16640 174.4
[M+Na]+ 340.14834 179.6
[M-H]- 316.15184 179.3
[M+NH4]+ 335.19294 188.5
[M+K]+ 356.12228 174.2
[M+H-H2O]+ 300.15638 163.2
[M+HCOO]- 362.15732 192.1
[M+CH3COO]- 376.17297 206.4
[M+Na-2H]- 338.13379 173.5
[M]+ 317.15857 170.4
[M]- 317.15967 170.4
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

patents stripe