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]+ 199.043486 137.3
[M+Na]+ 221.025428 145.6
[M-H]- 197.028934 136.8
[M+NH4]+ 216.070033 157.1
[M+K]+ 236.999368 145.1
[M+H-H2O]+ 181.033470 132.4
[M+HCOO]- 243.034411 152.1
[M+CH3COO]- 257.050061 179.2
[M+Na-2H]- 219.010876 141.1
[M]+ 198.03566142 141.3
[M]- 198.03675858 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.