CID 73849

1469-94-9

Structural Information

Molecular Formula
C15H12O3
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2
InChIKey
OABFIJGAEVKMJP-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

152
Patents

240.07864 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 152.4
[M+Na]+ 263.06786 158.9
[M-H]- 239.07136 157.7
[M+NH4]+ 258.11246 168.6
[M+K]+ 279.04180 155.4
[M+H-H2O]+ 223.07590 145.2
[M+HCOO]- 285.07684 173.9
[M+CH3COO]- 299.09249 189.8
[M+Na-2H]- 261.05331 156.3
[M]+ 240.07809 151.9
[M]- 240.07919 151.9
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

patents stripe