CID 60153134

Iodosodilactone

Structural Information

Molecular Formula
C8H3IO4
SMILES
C1=CC2=C3C(=C1)C(=O)OI3OC2=O
InChI
InChI=1S/C8H3IO4/c10-7-4-2-1-3-5-6(4)9(12-7)13-8(5)11/h1-3H
InChIKey
DHIWEENQJCGNME-UHFFFAOYSA-N
Compound name
4lambda3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

289.90762 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.91490 133.0
[M+Na]+ 312.89684 137.3
[M-H]- 288.90034 132.9
[M+NH4]+ 307.94144 151.4
[M+K]+ 328.87078 143.0
[M+H-H2O]+ 272.90488 126.5
[M+HCOO]- 334.90582 150.5
[M+CH3COO]- 348.92147 144.7
[M+Na-2H]- 310.88229 129.3
[M]+ 289.90707 134.9
[M]- 289.90817 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe