CID 22491139

69371-75-1

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

83
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 129.5
[M+Na]+ 194.98532 138.9
[M-H]- 170.98882 130.6
[M+NH4]+ 190.02992 151.4
[M+K]+ 210.95926 136.6
[M+H-H2O]+ 154.99336 126.4
[M+HCOO]- 216.99430 143.6
[M+CH3COO]- 231.00995 173.5
[M+Na-2H]- 192.97077 134.4
[M]+ 171.99555 136.2
[M]- 171.99665 136.2
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