CID 5146300

2,4,6-trihydroxybenzoylmethyl benzoate

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]+ 289.070676 161.1
[M+Na]+ 311.052618 168.1
[M-H]- 287.056124 164.4
[M+NH4]+ 306.097223 174.3
[M+K]+ 327.026558 165.2
[M+H-H2O]+ 271.060660 154.0
[M+HCOO]- 333.061601 180.2
[M+CH3COO]- 347.077251 193.6
[M+Na-2H]- 309.038066 162.9
[M]+ 288.06285142 162.1
[M]- 288.06394858 162.1
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.