CID 137943808

2260917-65-3

Structural Information

Molecular Formula
C8H12ClFO4S
SMILES
CCOC(=O)C1CC(C1)(CS(=O)(=O)Cl)F
InChI
InChI=1S/C8H12ClFO4S/c1-2-14-7(11)6-3-8(10,4-6)5-15(9,12)13/h6H,2-5H2,1H3
InChIKey
RSCWLQCXKMSOKN-UHFFFAOYSA-N
Compound name
ethyl 3-(chlorosulfonylmethyl)-3-fluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01288 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02016 142.7
[M+Na]+ 281.00210 149.3
[M-H]- 257.00560 145.0
[M+NH4]+ 276.04670 156.1
[M+K]+ 296.97604 149.4
[M+H-H2O]+ 241.01014 133.8
[M+HCOO]- 303.01108 152.3
[M+CH3COO]- 317.02673 191.2
[M+Na-2H]- 278.98755 145.3
[M]+ 258.01233 156.0
[M]- 258.01343 156.0
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.