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 136.2
[M+Na]+ 247.99390 144.8
[M-H]- 223.99740 129.4
[M+NH4]+ 243.03850 156.3
[M+K]+ 263.96784 141.8
[M+H-H2O]+ 208.00194 127.3
[M+HCOO]- 270.00288 142.5
[M+CH3COO]- 284.01853 180.2
[M+Na-2H]- 245.97935 138.0
[M]+ 225.00413 125.4
[M]- 225.00523 125.4
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.