CID 84498

14529-33-0

Structural Information

Molecular Formula
C7H5F3OS
SMILES
C1=CSC(=C1)CC(=O)C(F)(F)F
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)6(11)4-5-2-1-3-12-5/h1-3H,4H2
InChIKey
NBKNXYCQJHKJEU-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

194.00133 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00861 144.6
[M+Na]+ 216.99055 151.8
[M+NH4]+ 212.03515 150.8
[M+K]+ 232.96449 146.9
[M-H]- 192.99405 141.0
[M+Na-2H]- 214.97600 146.9
[M]+ 194.00078 144.7
[M]- 194.00188 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.