CID 2778022

Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate

Structural Information

Molecular Formula
C5H9F3O4SSi
SMILES
C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F
InChI
InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3
InChIKey
XHVSCKNABCCCAC-UHFFFAOYSA-N
Compound name
trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2318
Patents

249.9943 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.001576 142.8
[M+Na]+ 272.983518 151.1
[M-H]- 248.987024 139.6
[M+NH4]+ 268.028123 160.7
[M+K]+ 288.957458 150.4
[M+H-H2O]+ 232.991560 136.2
[M+HCOO]- 294.992501 153.8
[M+CH3COO]- 309.008151 186.1
[M+Na-2H]- 270.968966 146.6
[M]+ 249.99375142 143.7
[M]- 249.99484858 143.7
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