CID 3044902

Brn 0538328

Structural Information

Molecular Formula
C11H11Cl2NO2S
SMILES
C1CNC(=S)OC1COC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO2S/c12-9-2-1-7(5-10(9)13)15-6-8-3-4-14-11(17)16-8/h1-2,5,8H,3-4,6H2,(H,14,17)
InChIKey
OKJLKDPHIFOAJD-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenoxy)methyl]-1,3-oxazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.98877 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.99605 157.9
[M+Na]+ 313.97799 166.3
[M-H]- 289.98149 162.0
[M+NH4]+ 309.02259 172.2
[M+K]+ 329.95193 160.9
[M+H-H2O]+ 273.98603 152.6
[M+HCOO]- 335.98697 161.4
[M+CH3COO]- 350.00262 168.6
[M+Na-2H]- 311.96344 158.8
[M]+ 290.98822 159.4
[M]- 290.98932 159.4
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.