CID 325434

[hydroxy(tosyloxy)iodo]benzene

Structural Information

Molecular Formula

C₁₃H₁₃IO₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O

InChI

InChI=1S/C13H13IO4S/c1-11-7-9-13(10-8-11)19(16,17)18-14(15)12-5-3-2-4-6-12/h2-10,15H,1H3

InChIKey

LRIUKPUCKCECPT-UHFFFAOYSA-N

Compound name

[hydroxy(phenyl)-lambda3-iodanyl] 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1347
Patents: 391.95792 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	392.96520	176.0
[M+Na]+	414.94714	180.5
[M+NH4]+	409.99174	178.8
[M+K]+	430.92108	176.3
[M-H]-	390.95064	172.0
[M+Na-2H]-	412.93259	170.3
[M]+	391.95737	174.9
[M]-	391.95847	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe