CID 477320

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

Structural Information

Molecular Formula
C10H8Cl2N2OS2
SMILES
CSCOC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C10H8Cl2N2OS2/c1-16-5-15-10-9(13-17-14-10)8-6(11)3-2-4-7(8)12/h2-4H,5H2,1H3
InChIKey
MFJZZIYNLAUBKP-UHFFFAOYSA-N
Compound name
3-(2,6-dichlorophenyl)-4-(methylsulfanylmethoxy)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95278 158.4
[M+Na]+ 328.93472 170.7
[M-H]- 304.93822 163.2
[M+NH4]+ 323.97932 175.3
[M+K]+ 344.90866 164.1
[M+H-H2O]+ 288.94276 153.1
[M+HCOO]- 350.94370 162.4
[M+CH3COO]- 364.95935 170.5
[M+Na-2H]- 326.92017 157.2
[M]+ 305.94495 165.9
[M]- 305.94605 165.9
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.