CID 640110

1-(2,4-dihydroxy-3-methylphenyl)-2-(4-fluorophenyl)ethanone

Structural Information

Molecular Formula
C15H13FO3
SMILES
CC1=C(C=CC(=C1O)C(=O)CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C15H13FO3/c1-9-13(17)7-6-12(15(9)19)14(18)8-10-2-4-11(16)5-3-10/h2-7,17,19H,8H2,1H3
InChIKey
JOYQHSZIPOVVOI-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-3-methylphenyl)-2-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.08487 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09215 159.2
[M+Na]+ 283.07409 172.5
[M+NH4]+ 278.11869 166.0
[M+K]+ 299.04803 166.2
[M-H]- 259.07759 160.9
[M+Na-2H]- 281.05954 165.7
[M]+ 260.08432 161.5
[M]- 260.08542 161.5
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

No patent data available for this compound.