CID 12400112

5-methylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClO2S2
SMILES
CC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClO2S2/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3
InChIKey
QGGRRHYGHGJEKP-UHFFFAOYSA-N
Compound name
5-methylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

195.94196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.94924 140.7
[M+Na]+ 218.93118 151.7
[M+NH4]+ 213.97578 149.8
[M+K]+ 234.90512 144.0
[M-H]- 194.93468 141.5
[M+Na-2H]- 216.91663 144.4
[M]+ 195.94141 143.6
[M]- 195.94251 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe