CID 853076

1-(5-ethyl-2,4-dihydroxyphenyl)-2-phenylethanone

Structural Information

Molecular Formula
C16H16O3
SMILES
CCC1=CC(=C(C=C1O)O)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H16O3/c1-2-12-9-13(16(19)10-14(12)17)15(18)8-11-6-4-3-5-7-11/h3-7,9-10,17,19H,2,8H2,1H3
InChIKey
TYEPLJPAMSQUDK-UHFFFAOYSA-N
Compound name
1-(5-ethyl-2,4-dihydroxyphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.0
[M+Na]+ 279.09917 172.9
[M+NH4]+ 274.14377 166.5
[M+K]+ 295.07311 166.1
[M-H]- 255.10267 162.3
[M+Na-2H]- 277.08462 166.5
[M]+ 256.10940 161.9
[M]- 256.11050 161.9
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.