CID 12566901

Diphenyliodonium tosylate

Structural Information

Molecular Formula
C19H17IO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17IO3S/c1-16-12-14-19(15-13-16)24(21,22)23-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
XBKVBPZGRMBIEB-UHFFFAOYSA-N
Compound name
(diphenyl-lambda3-iodanyl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

162
References

280
Patents

451.99432 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.00160 191.5
[M+Na]+ 474.98354 191.2
[M-H]- 450.98704 193.0
[M+NH4]+ 470.02814 199.5
[M+K]+ 490.95748 191.9
[M+H-H2O]+ 434.99158 178.8
[M+HCOO]- 496.99252 203.4
[M+CH3COO]- 511.00817 213.5
[M+Na-2H]- 472.96899 183.1
[M]+ 451.99377 190.7
[M]- 451.99487 190.7
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