CID 79018076

2-bromo-4-iodobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₃BrClIO₂S

SMILES

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

InChI

InChI=1S/C6H3BrClIO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H

InChIKey

YAYBINNRXRHAMC-UHFFFAOYSA-N

Compound name

2-bromo-4-iodobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 379.77704 Da
Monoisotopic Mass: 3.3
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]+	380.78432	143.7
[M+Na]+	402.76626	152.0
[M-H]-	378.76976	144.6
[M+NH4]+	397.81086	160.9
[M+K]+	418.74020	144.8
[M+H-H2O]+	362.77430	142.1
[M+HCOO]-	424.77524	152.3
[M+CH3COO]-	438.79089	195.8
[M+Na-2H]-	400.75171	139.4
[M]+	379.77649	163.0
[M]-	379.77759	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe