CID 689111

727-71-9

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-9-4-2-1-3-5-9/h1-5,7-8,15,17-18H,6H2
InChIKey
SLHBRIIHMDJIBT-UHFFFAOYSA-N
Compound name
2-phenyl-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

86
Patents

244.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 153.6
[M+Na]+ 267.06278 166.8
[M+NH4]+ 262.10738 160.5
[M+K]+ 283.03672 161.4
[M-H]- 243.06628 155.9
[M+Na-2H]- 265.04823 160.5
[M]+ 244.07301 156.0
[M]- 244.07411 156.0
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