CID 132398563

Tert-butyl 2-(fluorosulfonyl)acetate

Structural Information

Molecular Formula
C6H11FO4S
SMILES
CC(C)(C)OC(=O)CS(=O)(=O)F
InChI
InChI=1S/C6H11FO4S/c1-6(2,3)11-5(8)4-12(7,9)10/h4H2,1-3H3
InChIKey
RUNIRBXVGRAKAT-UHFFFAOYSA-N
Compound name
tert-butyl 2-fluorosulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03621 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04349 137.3
[M+Na]+ 221.02543 145.6
[M-H]- 197.02893 136.8
[M+NH4]+ 216.07003 157.1
[M+K]+ 236.99937 145.1
[M+H-H2O]+ 181.03347 132.4
[M+HCOO]- 243.03441 152.1
[M+CH3COO]- 257.05006 179.2
[M+Na-2H]- 219.01088 141.1
[M]+ 198.03566 141.3
[M]- 198.03676 141.3
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.