CID 657836

Ethanone, 1-(3-fluoro-4-methoxyphenyl)-2-(4-morpholinyl)-, hydrochloride

Structural Information

Molecular Formula
C13H16FNO3
SMILES
COC1=C(C=C(C=C1)C(=O)CN2CCOCC2)F
InChI
InChI=1S/C13H16FNO3/c1-17-13-3-2-10(8-11(13)14)12(16)9-15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKey
JTWLNSJZYQLSDD-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

253.11142 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.118696 156.0
[M+Na]+ 276.100638 161.8
[M-H]- 252.104144 160.0
[M+NH4]+ 271.145243 169.9
[M+K]+ 292.074578 160.7
[M+H-H2O]+ 236.108680 146.8
[M+HCOO]- 298.109621 172.9
[M+CH3COO]- 312.125271 193.8
[M+Na-2H]- 274.086086 159.2
[M]+ 253.11087142 154.2
[M]- 253.11196858 154.2
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.