CID 3044908

57841-36-8

Structural Information

Molecular Formula
C12H12F3NO2S
SMILES
C1CNC(=S)OC1COC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C12H12F3NO2S/c13-12(14,15)8-2-1-3-9(6-8)17-7-10-4-5-16-11(19)18-10/h1-3,6,10H,4-5,7H2,(H,16,19)
InChIKey
BGLTUGSWIVPLSB-UHFFFAOYSA-N
Compound name
6-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.05408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06136 160.1
[M+Na]+ 314.04330 167.0
[M-H]- 290.04680 160.3
[M+NH4]+ 309.08790 172.7
[M+K]+ 330.01724 162.8
[M+H-H2O]+ 274.05134 150.4
[M+HCOO]- 336.05228 168.2
[M+CH3COO]- 350.06793 194.3
[M+Na-2H]- 312.02875 161.4
[M]+ 291.05353 154.8
[M]- 291.05463 154.8
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.