CID 1241304

53595-65-6

Structural Information

Molecular Formula

C₄H₄BrNO₂S₂

SMILES

C1=C(SC(=C1)Br)S(=O)(=O)N

InChI

InChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)

InChIKey

WXJQQLDICAOBJB-UHFFFAOYSA-N

Compound name

5-bromothiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 535
Patents: 240.88667 Da
Monoisotopic Mass: 1.2
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]+	241.893946	128.3
[M+Na]+	263.875888	142.7
[M-H]-	239.879394	135.0
[M+NH4]+	258.920493	151.6
[M+K]+	279.849828	129.9
[M+H-H2O]+	223.883930	129.2
[M+HCOO]-	285.884871	141.9
[M+CH3COO]-	299.900521	183.6
[M+Na-2H]-	261.861336	133.1
[M]+	240.88612142	148.0
[M]-	240.88721858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe