CID 102608496

2-(oxetan-3-yloxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO4S
SMILES
C1C(CO1)OCCS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO4S/c6-11(7,8)2-1-10-5-3-9-4-5/h5H,1-4H2
InChIKey
KNIGUSGQMKQBLZ-UHFFFAOYSA-N
Compound name
2-(oxetan-3-yloxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99101 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99829 124.7
[M+Na]+ 222.98023 131.1
[M-H]- 198.98373 128.9
[M+NH4]+ 218.02483 137.3
[M+K]+ 238.95417 133.3
[M+H-H2O]+ 182.98827 115.4
[M+HCOO]- 244.98921 136.5
[M+CH3COO]- 259.00486 180.0
[M+Na-2H]- 220.96568 130.7
[M]+ 199.99046 139.1
[M]- 199.99156 139.1
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.