CID 54595349

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

Structural Information

Molecular Formula
C5H4BrClO2S2
SMILES
CC1=CC(=C(S1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C5H4BrClO2S2/c1-3-2-4(6)5(10-3)11(7,8)9/h2H,1H3
InChIKey
LBWGMJIULMWORY-UHFFFAOYSA-N
Compound name
3-bromo-5-methylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

273.85245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.85973 133.0
[M+Na]+ 296.84167 135.6
[M+NH4]+ 291.88627 138.5
[M+K]+ 312.81561 135.0
[M-H]- 272.84517 132.6
[M+Na-2H]- 294.82712 135.0
[M]+ 273.85190 133.1
[M]- 273.85300 133.1
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