CID 11141609

[hydroxy(methanesulfonyloxy)iodo]benzene

Structural Information

Molecular Formula
C7H9IO4S
SMILES
CS(=O)(=O)OI(C1=CC=CC=C1)O
InChI
InChI=1S/C7H9IO4S/c1-13(10,11)12-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKey
WSUYPCBSGVAXNY-UHFFFAOYSA-N
Compound name
[hydroxy(phenyl)-lambda3-iodanyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

315.92664 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.93392 155.1
[M+Na]+ 338.91586 155.7
[M-H]- 314.91936 150.7
[M+NH4]+ 333.96046 168.5
[M+K]+ 354.88980 159.5
[M+H-H2O]+ 298.92390 145.8
[M+HCOO]- 360.92484 166.9
[M+CH3COO]- 374.94049 185.9
[M+Na-2H]- 336.90131 147.2
[M]+ 315.92609 154.9
[M]- 315.92719 154.9
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