CID 119021780

1261438-65-6

Structural Information

Molecular Formula

C₆H₅BrINO₂S

SMILES

C1=CC(=C(C=C1I)Br)S(=O)(=O)N

InChI

InChI=1S/C6H5BrINO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

AUZURGTZZGNJFR-UHFFFAOYSA-N

Compound name

2-bromo-4-iodobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.8269 Da
Monoisotopic Mass: 1.8
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]+	361.83418	149.3
[M+Na]+	383.81612	155.6
[M-H]-	359.81962	149.2
[M+NH4]+	378.86072	165.4
[M+K]+	399.79006	149.2
[M+H-H2O]+	343.82416	145.6
[M+HCOO]-	405.82510	161.8
[M+CH3COO]-	419.84075	196.1
[M+Na-2H]-	381.80157	143.8
[M]+	360.82635	164.9
[M]-	360.82745	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.