CID 477322

3-(2,6-dichlorophenyl)-4-(2-methoxyethoxymethoxy)-1,2,5-thiadiazole

Structural Information

Molecular Formula
C12H12Cl2N2O3S
SMILES
COCCOCOC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O3S/c1-17-5-6-18-7-19-12-11(15-20-16-12)10-8(13)3-2-4-9(10)14/h2-4H,5-7H2,1H3
InChIKey
HWSVXPJYRWUDDF-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-(2-methoxyethoxymethoxy)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.99457 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.00185 167.8
[M+Na]+ 356.98379 178.7
[M-H]- 332.98729 172.2
[M+NH4]+ 352.02839 183.0
[M+K]+ 372.95773 173.6
[M+H-H2O]+ 316.99183 161.0
[M+HCOO]- 378.99277 176.8
[M+CH3COO]- 393.00842 202.4
[M+Na-2H]- 354.96924 168.0
[M]+ 333.99402 178.1
[M]- 333.99512 178.1
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.