CID 5189895

2-(4-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C14H11FO4
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)F
InChI
InChI=1S/C14H11FO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
InChIKey
WAPZGBCWSLEYCF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.06415 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07143 154.7
[M+Na]+ 285.05337 163.4
[M-H]- 261.05687 157.0
[M+NH4]+ 280.09797 169.5
[M+K]+ 301.02731 158.9
[M+H-H2O]+ 245.06141 147.3
[M+HCOO]- 307.06235 173.4
[M+CH3COO]- 321.07800 190.5
[M+Na-2H]- 283.03882 156.7
[M]+ 262.06360 153.1
[M]- 262.06470 153.1
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