CID 3044900

Brn 1120591

Structural Information

Molecular Formula
C11H12ClNO2S
SMILES
C1CNC(=S)OC1COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H12ClNO2S/c12-8-2-1-3-9(6-8)14-7-10-4-5-13-11(16)15-10/h1-3,6,10H,4-5,7H2,(H,13,16)
InChIKey
VIIIAQLWPZCIJX-UHFFFAOYSA-N
Compound name
6-[(3-chlorophenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03502 153.7
[M+Na]+ 280.01696 167.2
[M+NH4]+ 275.06156 162.5
[M+K]+ 295.99090 158.0
[M-H]- 256.02046 158.3
[M+Na-2H]- 278.00241 159.8
[M]+ 257.02719 157.7
[M]- 257.02829 157.7
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.