CID 200800

4-(3-((p-fluoro-alpha-phenylbenzyl)oxy)propyl)morpholine hydrochloride

Structural Information

Molecular Formula
C20H24FNO2
SMILES
C1COCCN1CCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H24FNO2/c21-19-9-7-18(8-10-19)20(17-5-2-1-3-6-17)24-14-4-11-22-12-15-23-16-13-22/h1-3,5-10,20H,4,11-16H2
InChIKey
HOVHCMMFJJSDQY-UHFFFAOYSA-N
Compound name
4-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1791 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18638 179.8
[M+Na]+ 352.16832 182.6
[M-H]- 328.17182 185.5
[M+NH4]+ 347.21292 189.7
[M+K]+ 368.14226 179.1
[M+H-H2O]+ 312.17636 168.2
[M+HCOO]- 374.17730 195.1
[M+CH3COO]- 388.19295 208.2
[M+Na-2H]- 350.15377 182.0
[M]+ 329.17855 176.4
[M]- 329.17965 176.4
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.