CID 1224280

119558-35-9

Structural Information

Molecular Formula
C15H20F3NOS
SMILES
CN(C)C[C@H]1CSCC[C@]1(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C15H20F3NOS/c1-19(2)9-13-10-21-7-6-14(13,20)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13,20H,6-7,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKey
UFYNYMSMDPKIPS-UONOGXRCSA-N
Compound name
(3R,4S)-3-[(dimethylamino)methyl]-4-[3-(trifluoromethyl)phenyl]thian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12177 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12905 172.3
[M+Na]+ 342.11099 179.5
[M+NH4]+ 337.15559 179.6
[M+K]+ 358.08493 170.7
[M-H]- 318.11449 171.7
[M+Na-2H]- 340.09644 177.5
[M]+ 319.12122 173.5
[M]- 319.12232 173.5
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.