CID 71695376

5-bromo-3-methylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H4BrClO2S2
SMILES
CC1=C(SC(=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C5H4BrClO2S2/c1-3-2-4(6)10-5(3)11(7,8)9/h2H,1H3
InChIKey
MGIVCIQNHQLTNC-UHFFFAOYSA-N
Compound name
5-bromo-3-methylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.85245 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.859726 133.4
[M+Na]+ 296.841668 150.1
[M-H]- 272.845174 141.5
[M+NH4]+ 291.886273 157.6
[M+K]+ 312.815608 136.3
[M+H-H2O]+ 256.849710 136.5
[M+HCOO]- 318.850651 142.5
[M+CH3COO]- 332.866301 187.2
[M+Na-2H]- 294.827116 137.5
[M]+ 273.85190142 157.2
[M]- 273.85299858 157.2
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.