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

24
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.