CID 3024526

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

Structural Information

Molecular Formula
C19H21BrFNO
SMILES
C1CCN(C1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H21BrFNO/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
HCENOERZKIRXPE-UHFFFAOYSA-N
Compound name
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

377.07907 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08635 186.5
[M+Na]+ 400.06829 194.5
[M-H]- 376.07179 195.0
[M+NH4]+ 395.11289 202.2
[M+K]+ 416.04223 182.2
[M+H-H2O]+ 360.07633 183.3
[M+HCOO]- 422.07727 203.0
[M+CH3COO]- 436.09292 197.6
[M+Na-2H]- 398.05374 186.8
[M]+ 377.07852 202.4
[M]- 377.07962 202.4
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.