CID 75480360

2,2,2-trifluoro-1-(oxolan-2-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClF3O3S
SMILES
C1CC(OC1)C(C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H8ClF3O3S/c7-14(11,12)5(6(8,9)10)4-2-1-3-13-4/h4-5H,1-3H2
InChIKey
KVBSRDYMQZMLNC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98347 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.99075 144.0
[M+Na]+ 274.97269 152.4
[M-H]- 250.97619 144.6
[M+NH4]+ 270.01729 162.7
[M+K]+ 290.94663 150.5
[M+H-H2O]+ 234.98073 138.4
[M+HCOO]- 296.98167 150.7
[M+CH3COO]- 310.99732 184.3
[M+Na-2H]- 272.95814 146.1
[M]+ 251.98292 143.1
[M]- 251.98402 143.1
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.