CID 238677

6304-96-7

Structural Information

Molecular Formula
C13H19IO8
SMILES
CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)CI
InChI
InChI=1S/C13H19IO8/c1-6(15)19-10-9(5-14)22-13(18-4)12(21-8(3)17)11(10)20-7(2)16/h9-13H,5H2,1-4H3
InChIKey
WKINNAVZJINYDX-UHFFFAOYSA-N
Compound name
[4,5-diacetyloxy-2-(iodomethyl)-6-methoxyoxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

430.01248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.019756 181.0
[M+Na]+ 453.001698 179.7
[M-H]- 429.005204 178.0
[M+NH4]+ 448.046303 189.5
[M+K]+ 468.975638 188.1
[M+H-H2O]+ 413.009740 171.2
[M+HCOO]- 475.010681 193.1
[M+CH3COO]- 489.026331 214.5
[M+Na-2H]- 450.987146 167.4
[M]+ 430.01193142 184.9
[M]- 430.01302858 184.9
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

No patent data available for this compound.