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

4
Patents

430.01248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.01976 181.0
[M+Na]+ 453.00170 179.7
[M-H]- 429.00520 178.0
[M+NH4]+ 448.04630 189.5
[M+K]+ 468.97564 188.1
[M+H-H2O]+ 413.00974 171.2
[M+HCOO]- 475.01068 193.1
[M+CH3COO]- 489.02633 214.5
[M+Na-2H]- 450.98715 167.4
[M]+ 430.01193 184.9
[M]- 430.01303 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.