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

8
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 128.4
[M+Na]+ 192.99413 137.1
[M-H]- 168.99763 128.0
[M+NH4]+ 188.03873 149.2
[M+K]+ 208.96807 136.6
[M+H-H2O]+ 153.00217 123.1
[M+HCOO]- 215.00311 145.3
[M+CH3COO]- 229.01876 173.5
[M+Na-2H]- 190.97958 132.1
[M]+ 170.00436 132.2
[M]- 170.00546 132.2
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