CID 76724

Iodobenzene diacetate

Structural Information

Molecular Formula
C10H11IO4
SMILES
CC(=O)OI(C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
ZBIKORITPGTTGI-UHFFFAOYSA-N
Compound name
[acetyloxy(phenyl)-lambda3-iodanyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

14768
Patents

321.9702 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.97748 156.9
[M+Na]+ 344.95942 156.2
[M-H]- 320.96292 153.2
[M+NH4]+ 340.00402 170.1
[M+K]+ 360.93336 161.8
[M+H-H2O]+ 304.96746 146.8
[M+HCOO]- 366.96840 173.9
[M+CH3COO]- 380.98405 193.2
[M+Na-2H]- 342.94487 148.0
[M]+ 321.96965 156.7
[M]- 321.97075 156.7
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