CID 22491139

2-ethoxyethanesulfonyl chloride

Structural Information

Molecular Formula
C4H9ClO3S
SMILES
CCOCCS(=O)(=O)Cl
InChI
InChI=1S/C4H9ClO3S/c1-2-8-3-4-9(5,6)7/h2-4H2,1H3
InChIKey
UIZKSVKQIJNZNF-UHFFFAOYSA-N
Compound name
2-ethoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

171.9961 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00338 133.3
[M+Na]+ 194.98532 143.7
[M+NH4]+ 190.02992 141.0
[M+K]+ 210.95926 136.9
[M-H]- 170.98882 131.5
[M+Na-2H]- 192.97077 136.1
[M]+ 171.99555 134.9
[M]- 171.99665 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe