CID 11046968

[(tosylimino)iodo]benzene

Structural Information

Molecular Formula

C₁₃H₁₂INO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=IC2=CC=CC=C2

InChI

InChI=1S/C13H12INO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

WECCHUKCGHQAQJ-UHFFFAOYSA-N

Compound name

4-methyl-N-(phenyl-lambda3-iodanylidene)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 372.96335 Da
Monoisotopic Mass: 4.4
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]+	373.97063	172.0
[M+Na]+	395.95257	177.7
[M+NH4]+	390.99717	175.9
[M+K]+	411.92651	171.5
[M-H]-	371.95607	170.1
[M+Na-2H]-	393.93802	168.2
[M]+	372.96280	171.7
[M]-	372.96390	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe