CID 853070

2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C15H13FO4
SMILES
COC1=CC(=C(C=C1)C(=O)COC2=CC=C(C=C2)F)O
InChI
InChI=1S/C15H13FO4/c1-19-12-6-7-13(14(17)8-12)15(18)9-20-11-4-2-10(16)3-5-11/h2-8,17H,9H2,1H3
InChIKey
UQSXOBJXBDFKRA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

276.07977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08705 158.8
[M+Na]+ 299.06899 167.0
[M-H]- 275.07249 163.4
[M+NH4]+ 294.11359 174.2
[M+K]+ 315.04293 163.9
[M+H-H2O]+ 259.07703 150.5
[M+HCOO]- 321.07797 180.3
[M+CH3COO]- 335.09362 196.9
[M+Na-2H]- 297.05444 162.0
[M]+ 276.07922 160.9
[M]- 276.08032 160.9
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