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 149.5
[M+Na]+ 264.04650 156.5
[M-H]- 240.05000 152.5
[M+NH4]+ 259.09110 164.2
[M+K]+ 280.02044 152.9
[M+H-H2O]+ 224.05454 141.5
[M+HCOO]- 286.05548 161.6
[M+CH3COO]- 300.07113 186.0
[M+Na-2H]- 262.03195 151.6
[M]+ 241.05673 146.6
[M]- 241.05783 146.6
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.