CID 3470309

2-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone

Structural Information

Molecular Formula
C16H15FO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C16H15FO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3
InChIKey
RAPKUFZCIOJKMJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09543 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10271 163.0
[M+Na]+ 313.08465 171.7
[M-H]- 289.08815 167.8
[M+NH4]+ 308.12925 178.1
[M+K]+ 329.05859 168.5
[M+H-H2O]+ 273.09269 154.7
[M+HCOO]- 335.09363 184.1
[M+CH3COO]- 349.10928 201.1
[M+Na-2H]- 311.07010 164.9
[M]+ 290.09488 165.8
[M]- 290.09598 165.8
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.