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]+ 240.97545 148.8
[M+Na]+ 262.95739 159.3
[M-H]- 238.96089 153.3
[M+NH4]+ 258.00199 170.0
[M+K]+ 278.93133 154.8
[M+H-H2O]+ 222.96543 145.1
[M+HCOO]- 284.96637 158.7
[M+CH3COO]- 298.98202 183.8
[M+Na-2H]- 260.94284 149.7
[M]+ 239.96762 156.1
[M]- 239.96872 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