CID 46738065

1032507-45-1

Structural Information

Molecular Formula

C₆H₅BrClNO₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)Cl)Br

InChI

InChI=1S/C6H5BrClNO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

KQFLTKBUSDMAKA-UHFFFAOYSA-N

Compound name

4-bromo-3-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 268.8913 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]+	269.89858	135.3
[M+Na]+	291.88052	149.8
[M-H]-	267.88402	142.3
[M+NH4]+	286.92512	156.7
[M+K]+	307.85446	135.9
[M+H-H2O]+	251.88856	136.8
[M+HCOO]-	313.88950	148.5
[M+CH3COO]-	327.90515	189.2
[M+Na-2H]-	289.86597	141.9
[M]+	268.89075	156.4
[M]-	268.89185	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe