CID 3061420

79137-08-9

Structural Information

Molecular Formula
C10H11Cl2NS
SMILES
C1CNC(SC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2NS/c11-8-3-2-7(6-9(8)12)10-13-4-1-5-14-10/h2-3,6,10,13H,1,4-5H2
InChIKey
BIBNZWBSIFDROT-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.006206 147.4
[M+Na]+ 269.988148 155.3
[M-H]- 245.991654 150.5
[M+NH4]+ 265.032753 164.6
[M+K]+ 285.962088 148.6
[M+H-H2O]+ 229.996190 142.3
[M+HCOO]- 291.997131 151.3
[M+CH3COO]- 306.012781 158.3
[M+Na-2H]- 267.973596 148.6
[M]+ 246.99838142 145.5
[M]- 246.99947858 145.5
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.