CID 122163179

2-(prop-2-en-1-yloxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO3S
SMILES
C=CCOCCS(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO3S/c1-2-3-9-4-5-10(6,7)8/h2H,1,3-5H2
InChIKey
ZEQIEESPCKOAQQ-UHFFFAOYSA-N
Compound name
2-prop-2-enoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.9961 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.003376 133.0
[M+Na]+ 206.985318 142.3
[M-H]- 182.988824 134.0
[M+NH4]+ 202.029923 154.3
[M+K]+ 222.959258 139.1
[M+H-H2O]+ 166.993360 129.8
[M+HCOO]- 228.994301 147.0
[M+CH3COO]- 243.009951 175.5
[M+Na-2H]- 204.970766 137.4
[M]+ 183.99555142 139.3
[M]- 183.99664858 139.3
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.