CID 82660395

4-ethylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClO2S2
SMILES
CCC1=CSC(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO2S2/c1-2-5-3-6(10-4-5)11(7,8)9/h3-4H,2H2,1H3
InChIKey
VKJYJLJFFLPCCZ-UHFFFAOYSA-N
Compound name
4-ethylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

209.9576 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96488 141.1
[M+Na]+ 232.94682 152.3
[M-H]- 208.95032 145.8
[M+NH4]+ 227.99142 163.6
[M+K]+ 248.92076 147.6
[M+H-H2O]+ 192.95486 137.8
[M+HCOO]- 254.95580 151.0
[M+CH3COO]- 268.97145 178.9
[M+Na-2H]- 230.93227 142.1
[M]+ 209.95705 146.6
[M]- 209.95815 146.6
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