CID 343987

2,5-dibromobenzenesulfonamide

Structural Information

Molecular Formula

C₆H₅Br₂NO₂S

SMILES

C1=CC(=C(C=C1Br)S(=O)(=O)N)Br

InChI

InChI=1S/C6H5Br2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey

INERZUPHFUUUPD-UHFFFAOYSA-N

Compound name

2,5-dibromobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 312.84076 Da
Monoisotopic Mass: 1.9
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]+	313.84804	129.4
[M+Na]+	335.82998	141.9
[M-H]-	311.83348	136.5
[M+NH4]+	330.87458	148.4
[M+K]+	351.80392	124.9
[M+H-H2O]+	295.83802	137.2
[M+HCOO]-	357.83896	142.4
[M+CH3COO]-	371.85461	202.9
[M+Na-2H]-	333.81543	136.6
[M]+	312.84021	163.9
[M]-	312.84131	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe