CID 85657

4-(2,5-dioxotetrahydrofuran-3-yl)-1,2,3,4-tetrahydronaphthalene-1,2-dicarboxylic anhydride

Structural Information

Molecular Formula
C16H12O6
SMILES
C1C(C2=CC=CC=C2C3C1C(=O)OC3=O)C4CC(=O)OC4=O
InChI
InChI=1S/C16H12O6/c17-12-6-10(14(18)21-12)9-5-11-13(16(20)22-15(11)19)8-4-2-1-3-7(8)9/h1-4,9-11,13H,5-6H2
InChIKey
JYCTWJFSRDBYJX-UHFFFAOYSA-N
Compound name
5-(2,5-dioxooxolan-3-yl)-3a,4,5,9b-tetrahydrobenzo[e][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

3903
Patents

300.0634 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 161.3
[M+Na]+ 323.05262 170.6
[M-H]- 299.05612 171.7
[M+NH4]+ 318.09722 179.5
[M+K]+ 339.02656 169.1
[M+H-H2O]+ 283.06066 157.4
[M+HCOO]- 345.06160 178.8
[M+CH3COO]- 359.07725 203.0
[M+Na-2H]- 321.03807 162.2
[M]+ 300.06285 162.7
[M]- 300.06395 162.7
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.