CID 3024528

1-(2-(1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy)ethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C20H23BrFNO
SMILES
CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)Br)OCCN3CCCC3
InChI
InChI=1S/C20H23BrFNO/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
TZZWXXCFTHFEAT-UHFFFAOYSA-N
Compound name
1-[2-[1-(4-bromophenyl)-1-(4-fluorophenyl)ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0947 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10198 191.6
[M+Na]+ 414.08392 199.9
[M-H]- 390.08742 200.2
[M+NH4]+ 409.12852 206.9
[M+K]+ 430.05786 187.3
[M+H-H2O]+ 374.09196 188.7
[M+HCOO]- 436.09290 207.2
[M+CH3COO]- 450.10855 214.4
[M+Na-2H]- 412.06937 193.2
[M]+ 391.09415 207.9
[M]- 391.09525 207.9
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.