CID 16778862

5-(1-methoxyethyl)thiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H9ClO3S2
SMILES
CC(C1=CC=C(S1)S(=O)(=O)Cl)OC
InChI
InChI=1S/C7H9ClO3S2/c1-5(11-2)6-3-4-7(12-6)13(8,9)10/h3-5H,1-2H3
InChIKey
SJJWQWRGGHHBKR-UHFFFAOYSA-N
Compound name
5-(1-methoxyethyl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.96817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.97545 148.3
[M+Na]+ 262.95739 158.4
[M-H]- 238.96089 152.9
[M+NH4]+ 258.00199 169.4
[M+K]+ 278.93133 154.4
[M+H-H2O]+ 222.96543 144.8
[M+HCOO]- 284.96637 157.1
[M+CH3COO]- 298.98202 184.6
[M+Na-2H]- 260.94284 148.3
[M]+ 239.96762 155.1
[M]- 239.96872 155.1
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

No patent data available for this compound.