CID 59739027

Methyl 3-(fluorosulfonyl)propanoate

Structural Information

Molecular Formula
C4H7FO4S
SMILES
COC(=O)CCS(=O)(=O)F
InChI
InChI=1S/C4H7FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKey
ALGLDWYOBOXXKT-UHFFFAOYSA-N
Compound name
methyl 3-fluorosulfonylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.00491 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01219 134.3
[M+Na]+ 192.99413 142.1
[M+NH4]+ 188.03873 139.9
[M+K]+ 208.96807 137.3
[M-H]- 168.99763 129.9
[M+Na-2H]- 190.97958 135.2
[M]+ 170.00436 134.2
[M]- 170.00546 134.2
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

patents stripe