CID 127937

164173-56-2

Structural Information

Molecular Formula
C12H11Cl2N3O2S
SMILES
CCN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H11Cl2N3O2S/c1-3-17(2)12(18)19-11-10(15-20-16-11)9-7(13)5-4-6-8(9)14/h4-6H,3H2,1-2H3
InChIKey
VCJNZEYWGDFOEC-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

330.9949 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00218 169.5
[M+Na]+ 353.98412 179.9
[M-H]- 329.98762 175.6
[M+NH4]+ 349.02872 185.2
[M+K]+ 369.95806 175.3
[M+H-H2O]+ 313.99216 162.6
[M+HCOO]- 375.99310 178.9
[M+CH3COO]- 390.00875 207.3
[M+Na-2H]- 351.96957 168.6
[M]+ 330.99435 177.9
[M]- 330.99545 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.