CID 137943808

2287340-96-7

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]+ 259.020156 142.7
[M+Na]+ 281.002098 149.3
[M-H]- 257.005604 145.0
[M+NH4]+ 276.046703 156.1
[M+K]+ 296.976038 149.4
[M+H-H2O]+ 241.010140 133.8
[M+HCOO]- 303.011081 152.3
[M+CH3COO]- 317.026731 191.2
[M+Na-2H]- 278.987546 145.3
[M]+ 258.01233142 156.0
[M]- 258.01342858 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.