CID 68558

Talosalate

Structural Information

Molecular Formula
C17H12O6
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C17H12O6/c1-10(18)21-14-9-5-4-8-13(14)16(20)23-17-12-7-3-2-6-11(12)15(19)22-17/h2-9,17H,1H3
InChIKey
SHCYQUDTKWHARF-UHFFFAOYSA-N
Compound name
(3-oxo-1H-2-benzofuran-1-yl) 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3234
Patents

312.0634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.070676 166.8
[M+Na]+ 335.052618 174.9
[M-H]- 311.056124 175.6
[M+NH4]+ 330.097223 182.5
[M+K]+ 351.026558 174.0
[M+H-H2O]+ 295.060660 160.0
[M+HCOO]- 357.061601 188.1
[M+CH3COO]- 371.077251 203.2
[M+Na-2H]- 333.038066 169.5
[M]+ 312.06285142 171.9
[M]- 312.06394858 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.