CID 86598

Tartaric anhydride dibenzoate

Structural Information

Molecular Formula
C18H12O7
SMILES
C1=CC=C(C=C1)C(=O)OC2C(C(=O)OC2=O)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H12O7/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/h1-10,13-14H
InChIKey
OXIKRMSPXYQFOT-UHFFFAOYSA-N
Compound name
(4-benzoyloxy-2,5-dioxooxolan-3-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

340.0583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06558 172.5
[M+Na]+ 363.04752 179.1
[M-H]- 339.05102 183.3
[M+NH4]+ 358.09212 185.4
[M+K]+ 379.02146 178.5
[M+H-H2O]+ 323.05556 164.6
[M+HCOO]- 385.05650 194.0
[M+CH3COO]- 399.07215 206.5
[M+Na-2H]- 361.03297 173.2
[M]+ 340.05775 175.9
[M]- 340.05885 175.9
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

patents stripe