CID 17756624

Dichlobentiazox

Structural Information

Molecular Formula
C11H6Cl2N2O3S2
SMILES
C1=CC=C2C(=C1)C(=NS2(=O)=O)OCC3=C(C(=NS3)Cl)Cl
InChI
InChI=1S/C11H6Cl2N2O3S2/c12-9-7(19-14-10(9)13)5-18-11-6-3-1-2-4-8(6)20(16,17)15-11/h1-4H,5H2
InChIKey
CUTZZBQQGUIEGT-UHFFFAOYSA-N
Compound name
3-[(3,4-dichloro-1,2-thiazol-5-yl)methoxy]-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2733
Patents

347.91968 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.92696 169.7
[M+Na]+ 370.90890 185.0
[M-H]- 346.91240 176.7
[M+NH4]+ 365.95350 189.9
[M+K]+ 386.88284 179.0
[M+H-H2O]+ 330.91694 166.6
[M+HCOO]- 392.91788 175.3
[M+CH3COO]- 406.93353 182.7
[M+Na-2H]- 368.89435 170.1
[M]+ 347.91913 180.3
[M]- 347.92023 180.3
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

patents stripe