CID 165665291

2742656-90-0

Structural Information

Molecular Formula
C6H8ClF3O3S
SMILES
C1C(CC1OC(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C6H8ClF3O3S/c7-14(11,12)3-4-1-5(2-4)13-6(8,9)10/h4-5H,1-3H2
InChIKey
UNGPFPLILZWSSI-UHFFFAOYSA-N
Compound name
[3-(trifluoromethoxy)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98347 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99075 136.9
[M+Na]+ 274.97269 144.3
[M-H]- 250.97619 136.8
[M+NH4]+ 270.01729 148.8
[M+K]+ 290.94663 143.9
[M+H-H2O]+ 234.98073 125.4
[M+HCOO]- 296.98167 144.3
[M+CH3COO]- 310.99732 189.7
[M+Na-2H]- 272.95814 139.7
[M]+ 251.98292 146.2
[M]- 251.98402 146.2
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.