CID 3044901

Brn 0534940

Structural Information

Molecular Formula
C11H12FNO2S
SMILES
C1CNC(=S)OC1COC2=CC=C(C=C2)F
InChI
InChI=1S/C11H12FNO2S/c12-8-1-3-9(4-2-8)14-7-10-5-6-13-11(16)15-10/h1-4,10H,5-7H2,(H,13,16)
InChIKey
NFHNIOLMKFZXBD-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05728 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06456 152.1
[M+Na]+ 264.04650 163.7
[M+NH4]+ 259.09110 159.8
[M+K]+ 280.02044 155.5
[M-H]- 240.05000 155.1
[M+Na-2H]- 262.03195 157.2
[M]+ 241.05673 154.9
[M]- 241.05783 154.9
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.