CID 97422

Tetrahydrodifuro[3,4-b:3',4'-d]furantetrone

Structural Information

Molecular Formula
C8H4O7
SMILES
C12C3C(C(=O)OC3=O)OC1C(=O)OC2=O
InChI
InChI=1S/C8H4O7/c9-5-1-2-4(8(12)15-6(2)10)13-3(1)7(11)14-5/h1-4H
InChIKey
JASHGAIOBWYPBI-UHFFFAOYSA-N
Compound name
4,7,10-trioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1680
Patents

211.9957 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00298 134.4
[M+Na]+ 234.98492 145.4
[M-H]- 210.98842 142.6
[M+NH4]+ 230.02952 156.5
[M+K]+ 250.95886 147.2
[M+H-H2O]+ 194.99296 134.5
[M+HCOO]- 256.99390 154.3
[M+CH3COO]- 271.00955 184.8
[M+Na-2H]- 232.97037 138.3
[M]+ 211.99515 139.3
[M]- 211.99625 139.3
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