CID 102538955

1352522-70-3

Structural Information

Molecular Formula

C₅H₂BrCl₂NO₂S

SMILES

C1=C(C(=C(C=N1)Br)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C5H2BrCl2NO2S/c6-3-1-9-2-4(5(3)7)12(8,10)11/h1-2H

InChIKey

MPEKIKFAFBPCCG-UHFFFAOYSA-N

Compound name

5-bromo-4-chloropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.83667 Da
Monoisotopic Mass: 2.2
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]+	289.843946	132.3
[M+Na]+	311.825888	148.7
[M-H]-	287.829394	138.6
[M+NH4]+	306.870493	153.0
[M+K]+	327.799828	134.8
[M+H-H2O]+	271.833930	134.9
[M+HCOO]-	333.834871	139.8
[M+CH3COO]-	347.850521	189.4
[M+Na-2H]-	309.811336	139.8
[M]+	288.83612142	155.8
[M]-	288.83721858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.