CID 8599

Dihydroxymaleic anhydride bis(phenylacetate)

Structural Information

Molecular Formula
C20H14O7
SMILES
C1=CC=C(C=C1)CC(=O)OC2=C(C(=O)OC2=O)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H14O7/c21-15(11-13-7-3-1-4-8-13)25-17-18(20(24)27-19(17)23)26-16(22)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
SVZZYSUBDXSGJH-UHFFFAOYSA-N
Compound name
[2,5-dioxo-4-(2-phenylacetyl)oxyfuran-3-yl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08122 181.0
[M+Na]+ 389.06316 187.7
[M-H]- 365.06666 191.8
[M+NH4]+ 384.10776 192.8
[M+K]+ 405.03710 186.5
[M+H-H2O]+ 349.07120 172.6
[M+HCOO]- 411.07214 203.2
[M+CH3COO]- 425.08779 212.0
[M+Na-2H]- 387.04861 181.5
[M]+ 366.07339 186.4
[M]- 366.07449 186.4
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.