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 155.6
[M+Na]+ 300.02764 164.2
[M-H]- 276.03114 156.6
[M+NH4]+ 295.07224 170.9
[M+K]+ 316.00158 160.4
[M+H-H2O]+ 260.03568 147.1
[M+HCOO]- 322.03662 166.4
[M+CH3COO]- 336.05227 190.8
[M+Na-2H]- 298.01309 155.9
[M]+ 277.03787 152.3
[M]- 277.03897 152.3
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.