CID 2824892

2-iodobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₆H₆INO₂S

SMILES

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

InChI

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

InChIKey

JKHHRSIUFVAEOY-UHFFFAOYSA-N

Compound name

2-iodobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 232
Patents: 282.9164 Da
Monoisotopic Mass: 1.1
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]+	283.92368	147.3
[M+Na]+	305.90562	149.3
[M-H]-	281.90912	144.1
[M+NH4]+	300.95022	162.4
[M+K]+	321.87956	152.2
[M+H-H2O]+	265.91366	138.1
[M+HCOO]-	327.91460	161.6
[M+CH3COO]-	341.93025	185.7
[M+Na-2H]-	303.89107	139.8
[M]+	282.91585	145.0
[M]-	282.91695	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.