CID 71813730

Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanide

Structural Information

Molecular Formula
C15H10F3IO3S
SMILES
C1=CC=C(C=C1)C(=O)C(=IC2=CC=CC=C2)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C15H10F3IO3S/c16-15(17,18)23(21,22)14(19-12-9-5-2-6-10-12)13(20)11-7-3-1-4-8-11/h1-10H
InChIKey
BGLWFUSLNKHJEU-UHFFFAOYSA-N
Compound name
1-phenyl-2-(phenyl-lambda3-iodanylidene)-2-(trifluoromethylsulfonyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

453.93475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.94203 182.8
[M+Na]+ 476.92397 182.9
[M-H]- 452.92747 178.0
[M+NH4]+ 471.96857 190.8
[M+K]+ 492.89791 183.4
[M+H-H2O]+ 436.93201 169.4
[M+HCOO]- 498.93295 189.8
[M+CH3COO]- 512.94860 210.8
[M+Na-2H]- 474.90942 173.0
[M]+ 453.93420 177.5
[M]- 453.93530 177.5
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