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 172.7
[M+Na]+ 361.03188 185.3
[M+NH4]+ 356.07648 178.0
[M+K]+ 377.00582 182.8
[M-H]- 337.03538 177.0
[M+Na-2H]- 359.01733 179.4
[M]+ 338.04211 175.4
[M]- 338.04321 175.4
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.