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]+ 261.092146 155.7
[M+Na]+ 283.074088 164.6
[M-H]- 259.077594 159.3
[M+NH4]+ 278.118693 171.4
[M+K]+ 299.048028 160.0
[M+H-H2O]+ 243.082130 148.2
[M+HCOO]- 305.083071 175.4
[M+CH3COO]- 319.098721 193.6
[M+Na-2H]- 281.059536 157.6
[M]+ 260.08432142 154.9
[M]- 260.08541858 154.9
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

No patent data available for this compound.