CID 13425713

3-methylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClO2S2
SMILES
CC1=C(SC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClO2S2/c1-4-2-3-9-5(4)10(6,7)8/h2-3H,1H3
InChIKey
RXFIISJOFYQYKK-UHFFFAOYSA-N
Compound name
3-methylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

195.94196 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe