CID 2792231

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

Structural Information

Molecular Formula
C16H16O4
SMILES
CCC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H16O4/c1-2-11-3-6-13(7-4-11)20-10-16(19)14-8-5-12(17)9-15(14)18/h3-9,17-18H,2,10H2,1H3
InChIKey
RHBSLIMVGWKFQW-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 160.9
[M+Na]+ 295.094078 168.2
[M-H]- 271.097584 165.3
[M+NH4]+ 290.138683 175.8
[M+K]+ 311.068018 164.5
[M+H-H2O]+ 255.102120 153.7
[M+HCOO]- 317.103061 181.6
[M+CH3COO]- 331.118711 194.8
[M+Na-2H]- 293.079526 163.6
[M]+ 272.10431142 162.5
[M]- 272.10540858 162.5
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.