CID 8632

134-00-9

Structural Information

Molecular Formula
C18H10O7
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C(=O)OC2=O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H10O7/c19-15(11-7-3-1-4-8-11)23-13-14(18(22)25-17(13)21)24-16(20)12-9-5-2-6-10-12/h1-10H
InChIKey
ZCOUTGSSQOODMP-UHFFFAOYSA-N
Compound name
(4-benzoyloxy-2,5-dioxofuran-3-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.04266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04994 171.6
[M+Na]+ 361.03188 179.2
[M-H]- 337.03538 182.8
[M+NH4]+ 356.07648 184.6
[M+K]+ 377.00582 178.5
[M+H-H2O]+ 321.03992 163.6
[M+HCOO]- 383.04086 194.5
[M+CH3COO]- 397.05651 206.1
[M+Na-2H]- 359.01733 173.2
[M]+ 338.04211 176.4
[M]- 338.04321 176.4
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.