CID 137935716

4-bromothiophene-3-sulfinicacid

Structural Information

Molecular Formula

C₄H₃BrO₂S₂

SMILES

C1=C(C(=CS1)Br)S(=O)O

InChI

InChI=1S/C4H3BrO2S2/c5-3-1-8-2-4(3)9(6)7/h1-2H,(H,6,7)

InChIKey

GSELNKUGCWRJCB-UHFFFAOYSA-N

Compound name

4-bromothiophene-3-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.87578 Da
Monoisotopic Mass: 1.5
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]+	226.88306	123.4
[M+Na]+	248.86500	137.7
[M-H]-	224.86850	129.5
[M+NH4]+	243.90960	147.4
[M+K]+	264.83894	125.6
[M+H-H2O]+	208.87304	125.2
[M+HCOO]-	270.87398	135.8
[M+CH3COO]-	284.88963	178.7
[M+Na-2H]-	246.85045	126.7
[M]+	225.87523	143.9
[M]-	225.87633	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.