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

15
Patents

253.11142 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11870 156.0
[M+Na]+ 276.10064 161.8
[M-H]- 252.10414 160.0
[M+NH4]+ 271.14524 169.9
[M+K]+ 292.07458 160.7
[M+H-H2O]+ 236.10868 146.8
[M+HCOO]- 298.10962 172.9
[M+CH3COO]- 312.12527 193.8
[M+Na-2H]- 274.08609 159.2
[M]+ 253.11087 154.2
[M]- 253.11197 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.