CID 13425714

4-methylthiophene-2-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

195.94196 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.949236 136.7
[M+Na]+ 218.931178 148.4
[M-H]- 194.934684 141.7
[M+NH4]+ 213.975783 159.7
[M+K]+ 234.905118 143.9
[M+H-H2O]+ 178.939220 133.6
[M+HCOO]- 240.940161 147.0
[M+CH3COO]- 254.955811 176.0
[M+Na-2H]- 216.916626 138.2
[M]+ 195.94141142 141.9
[M]- 195.94250858 141.9
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