CID 119951

28399-14-6

Structural Information

Molecular Formula
C5H5F6NS
SMILES
C1CSC(N1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H5F6NS/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h12H,1-2H2
InChIKey
QUDDYPNOCXJCJL-UHFFFAOYSA-N
Compound name
2,2-bis(trifluoromethyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.00468 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01196 160.9
[M+Na]+ 247.99390 163.4
[M+NH4]+ 243.03850 164.2
[M+K]+ 263.96784 158.9
[M-H]- 223.99740 153.1
[M+Na-2H]- 245.97935 160.5
[M]+ 225.00413 158.9
[M]- 225.00523 158.9
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.