CID 25289

10450-60-9

Structural Information

Molecular Formula
H5IO6
SMILES
OI(=O)(O)(O)(O)O
InChI
InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
InChIKey
TWLXDPFBEPBAQB-UHFFFAOYSA-N
Compound name
pentahydroxy(oxo)-lambda7-iodane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3867
References

2004
Patents

227.91309 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.92037 134.4
[M+Na]+ 250.90231 135.4
[M-H]- 226.90581 121.8
[M+NH4]+ 245.94691 147.7
[M+K]+ 266.87625 135.3
[M+H-H2O]+ 210.91035 133.0
[M+HCOO]- 272.91129 146.8
[M+CH3COO]- 286.92694 152.4
[M+Na-2H]- 248.88776 128.7
[M]+ 227.91254 126.1
[M]- 227.91364 126.1
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