CID 200802

Propiophenone, 4'-fluoro-3-morpholino-, hydrochloride

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C1COCCN1CCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H16FNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-4H,5-10H2
InChIKey
ZLGPSAUGCOHPGC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

237.1165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 153.1
[M+Na]+ 260.10572 158.1
[M-H]- 236.10922 156.7
[M+NH4]+ 255.15032 167.5
[M+K]+ 276.07966 156.3
[M+H-H2O]+ 220.11376 143.9
[M+HCOO]- 282.11470 169.8
[M+CH3COO]- 296.13035 190.6
[M+Na-2H]- 258.09117 156.9
[M]+ 237.11595 149.4
[M]- 237.11705 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe