CID 16641367

1-(2,4-dihydroxyphenyl)-3-(4-ethylphenoxy)propan-1-one

Structural Information

Molecular Formula
C17H18O4
SMILES
CCC1=CC=C(C=C1)OCCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C17H18O4/c1-2-12-3-6-14(7-4-12)21-10-9-16(19)15-8-5-13(18)11-17(15)20/h3-8,11,18,20H,2,9-10H2,1H3
InChIKey
YQYXPBYSBOIHCK-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-(4-ethylphenoxy)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.5
[M+Na]+ 309.10972 172.3
[M-H]- 285.11322 169.7
[M+NH4]+ 304.15432 179.8
[M+K]+ 325.08366 168.4
[M+H-H2O]+ 269.11776 158.1
[M+HCOO]- 331.11870 185.8
[M+CH3COO]- 345.13435 197.8
[M+Na-2H]- 307.09517 167.7
[M]+ 286.11995 167.5
[M]- 286.12105 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.