CID 477323

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

Structural Information

Molecular Formula
C11H10Cl2N2O2S
SMILES
COCCOC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H10Cl2N2O2S/c1-16-5-6-17-11-10(14-18-15-11)9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3
InChIKey
OXIAREYAWXRRBK-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-(2-methoxyethoxy)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99128 161.0
[M+Na]+ 326.97322 172.7
[M-H]- 302.97672 165.6
[M+NH4]+ 322.01782 177.6
[M+K]+ 342.94716 167.2
[M+H-H2O]+ 286.98126 154.5
[M+HCOO]- 348.98220 170.1
[M+CH3COO]- 362.99785 197.6
[M+Na-2H]- 324.95867 161.5
[M]+ 303.98345 169.7
[M]- 303.98455 169.7
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.