CID 55279797

5-(2-methoxyethyl)thiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClO3S2
SMILES
COCCC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C7H9ClO3S2/c1-11-5-4-6-2-3-7(12-6)13(8,9)10/h2-3H,4-5H2,1H3
InChIKey
DNVZUTZFRJHDSZ-UHFFFAOYSA-N
Compound name
5-(2-methoxyethyl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.96817 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.975446 148.8
[M+Na]+ 262.957388 159.3
[M-H]- 238.960894 153.3
[M+NH4]+ 258.001993 170.0
[M+K]+ 278.931328 154.8
[M+H-H2O]+ 222.965430 145.1
[M+HCOO]- 284.966371 158.7
[M+CH3COO]- 298.982021 183.8
[M+Na-2H]- 260.942836 149.7
[M]+ 239.96762142 156.1
[M]- 239.96871858 156.1
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