CID 2063467

1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone

Structural Information

Molecular Formula
C14H11FO3
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)F
InChI
InChI=1S/C14H11FO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2
InChIKey
CXBCJNQNUZOTQH-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

21
Patents

246.06923 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07651 151.5
[M+Na]+ 269.05845 159.9
[M-H]- 245.06195 154.9
[M+NH4]+ 264.10305 167.5
[M+K]+ 285.03239 155.5
[M+H-H2O]+ 229.06649 144.0
[M+HCOO]- 291.06743 171.6
[M+CH3COO]- 305.08308 189.3
[M+Na-2H]- 267.04390 154.7
[M]+ 246.06868 149.9
[M]- 246.06978 149.9
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