CID 211676

23515-30-2

Structural Information

Molecular Formula
C11H12Cl2N2S2
SMILES
CCN1CN(C(=S)SC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2S2/c1-2-14-6-15(11(16)17-7-14)8-3-4-9(12)10(13)5-8/h3-5H,2,6-7H2,1H3
InChIKey
BHWIRTGAMABPLK-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9819 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98918 158.3
[M+Na]+ 328.97112 167.9
[M-H]- 304.97462 161.7
[M+NH4]+ 324.01572 173.2
[M+K]+ 344.94506 160.3
[M+H-H2O]+ 288.97916 152.8
[M+HCOO]- 350.98010 156.9
[M+CH3COO]- 364.99575 168.5
[M+Na-2H]- 326.95657 156.0
[M]+ 305.98135 159.5
[M]- 305.98245 159.5
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.