CID 137935716

4-bromothiophene-3-sulfinic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.883056 123.4
[M+Na]+ 248.864998 137.7
[M-H]- 224.868504 129.5
[M+NH4]+ 243.909603 147.4
[M+K]+ 264.838938 125.6
[M+H-H2O]+ 208.873040 125.2
[M+HCOO]- 270.873981 135.8
[M+CH3COO]- 284.889631 178.7
[M+Na-2H]- 246.850446 126.7
[M]+ 225.87523142 143.9
[M]- 225.87632858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.