CID 89128862

3-chloro-4-iodobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₃Cl₂IO₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)I

InChI

InChI=1S/C6H3Cl2IO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H

InChIKey

GQKIMYPKNOAMBS-UHFFFAOYSA-N

Compound name

3-chloro-4-iodobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 335.82755 Da
Monoisotopic Mass: 3.2
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]+	336.834826	144.4
[M+Na]+	358.816768	149.2
[M-H]-	334.820274	142.1
[M+NH4]+	353.861373	159.9
[M+K]+	374.790708	149.8
[M+H-H2O]+	318.824810	138.0
[M+HCOO]-	380.825751	149.9
[M+CH3COO]-	394.841401	190.9
[M+Na-2H]-	356.802216	137.2
[M]+	335.82700142	147.1
[M]-	335.82809858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe