CID 11219806

3-iodobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₆H₆INO₂S

SMILES

C1=CC(=CC(=C1)I)S(=O)(=O)N

InChI

InChI=1S/C6H6INO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey

VDQBCIQHOXPLFI-UHFFFAOYSA-N

Compound name

3-iodobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 282.9164 Da
Monoisotopic Mass: 1.6
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]+	283.923676	147.3
[M+Na]+	305.905618	149.3
[M-H]-	281.909124	144.1
[M+NH4]+	300.950223	162.4
[M+K]+	321.879558	152.2
[M+H-H2O]+	265.913660	138.1
[M+HCOO]-	327.914601	161.6
[M+CH3COO]-	341.930251	185.7
[M+Na-2H]-	303.891066	139.8
[M]+	282.91585142	145.0
[M]-	282.91694858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe