CID 159087

Dess-martin periodinane

Structural Information

Molecular Formula
C13H13IO8
SMILES
CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)OC(=O)C
InChI
InChI=1S/C13H13IO8/c1-8(15)19-14(20-9(2)16,21-10(3)17)12-7-5-4-6-11(12)13(18)22-14/h4-7H,1-3H3
InChIKey
NKLCNNUWBJBICK-UHFFFAOYSA-N
Compound name
(1,1-diacetyloxy-3-oxo-1lambda5,2-benziodoxol-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

64908
Patents

423.9655 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.97278 172.2
[M+Na]+ 446.95472 172.7
[M-H]- 422.95822 170.4
[M+NH4]+ 441.99932 183.2
[M+K]+ 462.92866 179.9
[M+H-H2O]+ 406.96276 163.6
[M+HCOO]- 468.96370 187.2
[M+CH3COO]- 482.97935 208.1
[M+Na-2H]- 444.94017 162.5
[M]+ 423.96495 176.4
[M]- 423.96605 176.4
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