CID 50320

Iodine, bis(acetato-o)(2-methoxyphenyl)-

Structural Information

Molecular Formula
C11H13IO5
SMILES
CC(=O)OI(C1=CC=CC=C1OC)OC(=O)C
InChI
InChI=1S/C11H13IO5/c1-8(13)16-12(17-9(2)14)10-6-4-5-7-11(10)15-3/h4-7H,1-3H3
InChIKey
DNEGCIFZVUVZLY-UHFFFAOYSA-N
Compound name
[acetyloxy-(2-methoxyphenyl)-lambda3-iodanyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.98077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98805 164.2
[M+Na]+ 374.96999 163.8
[M-H]- 350.97349 160.7
[M+NH4]+ 370.01459 176.4
[M+K]+ 390.94393 169.8
[M+H-H2O]+ 334.97803 153.9
[M+HCOO]- 396.97897 181.0
[M+CH3COO]- 410.99462 199.1
[M+Na-2H]- 372.95544 154.1
[M]+ 351.98022 166.0
[M]- 351.98132 166.0
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