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

26
Patents

166.01 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.01728 131.7
[M+Na]+ 188.99922 142.3
[M-H]- 165.00272 131.3
[M+NH4]+ 184.04382 150.7
[M+K]+ 204.97316 141.2
[M+H-H2O]+ 149.00726 120.8
[M+HCOO]- 211.00820 144.0
[M+CH3COO]- 225.02385 182.6
[M+Na-2H]- 186.98467 135.3
[M]+ 166.00945 129.9
[M]- 166.01055 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