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]+ 273.11214 160.9
[M+Na]+ 295.09408 168.2
[M-H]- 271.09758 165.3
[M+NH4]+ 290.13868 175.8
[M+K]+ 311.06802 164.5
[M+H-H2O]+ 255.10212 153.7
[M+HCOO]- 317.10306 181.6
[M+CH3COO]- 331.11871 194.8
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 162.5
[M]- 272.10541 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.