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]+ 257.117226 157.2
[M+Na]+ 279.099168 165.6
[M-H]- 255.102674 162.1
[M+NH4]+ 274.143773 173.2
[M+K]+ 295.073108 161.3
[M+H-H2O]+ 239.107210 150.6
[M+HCOO]- 301.108151 177.7
[M+CH3COO]- 315.123801 193.9
[M+Na-2H]- 277.084616 159.2
[M]+ 256.10940142 157.9
[M]- 256.11049858 157.9
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.