CID 764765

1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=CC=CC=C1CC(=O)C2=C(C(=C(C=C2)O)C)O
InChI
InChI=1S/C16H16O3/c1-10-5-3-4-6-12(10)9-15(18)13-7-8-14(17)11(2)16(13)19/h3-8,17,19H,9H2,1-2H3
InChIKey
KWMBRYDKQLGWFA-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
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 158.7
[M+Na]+ 279.09917 173.0
[M+NH4]+ 274.14377 166.3
[M+K]+ 295.07311 166.5
[M-H]- 255.10267 162.1
[M+Na-2H]- 277.08462 166.0
[M]+ 256.10940 161.7
[M]- 256.11050 161.7
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.