CID 3034459

3414-47-9

Structural Information

Molecular Formula
C11H10F3NO2S
SMILES
C1C(OC(=S)N1)COC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C11H10F3NO2S/c12-11(13,14)7-2-1-3-8(4-7)16-6-9-5-15-10(18)17-9/h1-4,9H,5-6H2,(H,15,18)
InChIKey
AIFMZFWIIGAWMP-UHFFFAOYSA-N
Compound name
5-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

277.03842 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04570 164.5
[M+Na]+ 300.02764 172.1
[M+NH4]+ 295.07224 169.5
[M+K]+ 316.00158 167.2
[M-H]- 276.03114 162.7
[M+Na-2H]- 298.01309 166.3
[M]+ 277.03787 165.1
[M]- 277.03897 165.1
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.