CID 86238956

2,2,2-trichloroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C3H2Cl3F3O3S
SMILES
C(C(Cl)(Cl)Cl)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3H2Cl3F3O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
InChIKey
IJUHGAPHHHTBAH-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

279.87424 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.88152 140.0
[M+Na]+ 302.86346 150.2
[M-H]- 278.86696 136.8
[M+NH4]+ 297.90806 157.7
[M+K]+ 318.83740 145.6
[M+H-H2O]+ 262.87150 136.6
[M+HCOO]- 324.87244 138.5
[M+CH3COO]- 338.88809 188.5
[M+Na-2H]- 300.84891 144.4
[M]+ 279.87369 142.0
[M]- 279.87479 142.0
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

patents stripe