CID 152712557

En300-6486007

Structural Information

Molecular Formula
C4H6F2O4S
SMILES
CCOC(=O)C(F)S(=O)(=O)F
InChI
InChI=1S/C4H6F2O4S/c1-2-10-4(7)3(5)11(6,8)9/h3H,2H2,1H3
InChIKey
ZTXHYQZGOMXUCE-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-fluorosulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.99548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00276 130.0
[M+Na]+ 210.98470 138.4
[M-H]- 186.98820 128.2
[M+NH4]+ 206.02930 149.9
[M+K]+ 226.95864 138.1
[M+H-H2O]+ 170.99274 123.9
[M+HCOO]- 232.99368 144.8
[M+CH3COO]- 247.00933 177.1
[M+Na-2H]- 208.97015 132.2
[M]+ 187.99493 132.1
[M]- 187.99603 132.1
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

No patent data available for this compound.