CID 57583531

2-(2-propyn-1-yloxy)-ethanesulfonyl fluoride

Structural Information

Molecular Formula
C5H7FO3S
SMILES
C#CCOCCS(=O)(=O)F
InChI
InChI=1S/C5H7FO3S/c1-2-3-9-4-5-10(6,7)8/h1H,3-5H2
InChIKey
HVQHLNVMEKMUEA-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

166.01 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.017276 131.7
[M+Na]+ 188.999218 142.3
[M-H]- 165.002724 131.3
[M+NH4]+ 184.043823 150.7
[M+K]+ 204.973158 141.2
[M+H-H2O]+ 149.007260 120.8
[M+HCOO]- 211.008201 144.0
[M+CH3COO]- 225.023851 182.6
[M+Na-2H]- 186.984666 135.3
[M]+ 166.00945142 129.9
[M]- 166.01054858 129.9
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