CID 5146300

65982-77-6

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H12O6/c16-10-6-11(17)14(12(18)7-10)13(19)8-21-15(20)9-4-2-1-3-5-9/h1-7,16-18H,8H2
InChIKey
RJDUTONJXJJEBT-UHFFFAOYSA-N
Compound name
[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 163.0
[M+Na]+ 311.05262 174.7
[M+NH4]+ 306.09722 168.1
[M+K]+ 327.02656 170.9
[M-H]- 287.05612 163.7
[M+Na-2H]- 309.03807 168.3
[M]+ 288.06285 164.5
[M]- 288.06395 164.5
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.