CID 477316

[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] n,n-dimethylsulfamate

Structural Information

Molecular Formula
C10H9Cl2N3O3S2
SMILES
CN(C)S(=O)(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C10H9Cl2N3O3S2/c1-15(2)20(16,17)18-10-9(13-19-14-10)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3
InChIKey
YHRJVWCDEQMXTQ-UHFFFAOYSA-N
Compound name
[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N,N-dimethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.94623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.95351 172.0
[M+Na]+ 375.93545 183.4
[M-H]- 351.93895 178.6
[M+NH4]+ 370.98005 187.0
[M+K]+ 391.90939 178.2
[M+H-H2O]+ 335.94349 166.5
[M+HCOO]- 397.94443 176.6
[M+CH3COO]- 411.96008 207.9
[M+Na-2H]- 373.92090 172.4
[M]+ 352.94568 180.9
[M]- 352.94678 180.9
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.