CID 12557631

Methyl 2-(fluorosulfonyl)acetate

Structural Information

Molecular Formula
C3H5FO4S
SMILES
COC(=O)CS(=O)(=O)F
InChI
InChI=1S/C3H5FO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3
InChIKey
FZXBSVQEXGORTN-UHFFFAOYSA-N
Compound name
methyl 2-fluorosulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

155.98926 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.996536 123.8
[M+Na]+ 178.978478 132.9
[M-H]- 154.981984 123.5
[M+NH4]+ 174.023083 145.1
[M+K]+ 194.952418 132.7
[M+H-H2O]+ 138.986520 118.7
[M+HCOO]- 200.987461 141.0
[M+CH3COO]- 215.003111 170.5
[M+Na-2H]- 176.963926 128.0
[M]+ 155.98871142 127.3
[M]- 155.98980858 127.3
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