CID 22485765

4-bromothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2BrClO2S2
SMILES
C1=C(SC=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C4H2BrClO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKey
IMVRMHNCGCAEES-UHFFFAOYSA-N
Compound name
4-bromothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

259.83682 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.84410 128.6
[M+Na]+ 282.82604 131.1
[M+NH4]+ 277.87064 134.3
[M+K]+ 298.79998 130.6
[M-H]- 258.82954 128.2
[M+Na-2H]- 280.81149 131.0
[M]+ 259.83627 128.7
[M]- 259.83737 128.7
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

patents stripe