CID 483988

5,7-dichloro-6-ethoxy-1,3-benzothiazole-2-sulfonamide

Structural Information

Molecular Formula
C9H8Cl2N2O3S2
SMILES
CCOC1=C(C=C2C(=C1Cl)SC(=N2)S(=O)(=O)N)Cl
InChI
InChI=1S/C9H8Cl2N2O3S2/c1-2-16-7-4(10)3-5-8(6(7)11)17-9(13-5)18(12,14)15/h3H,2H2,1H3,(H2,12,14,15)
InChIKey
CPOTWTKRFLLHHX-UHFFFAOYSA-N
Compound name
5,7-dichloro-6-ethoxy-1,3-benzothiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.93533 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.94261 165.2
[M+Na]+ 348.92455 178.5
[M-H]- 324.92805 169.3
[M+NH4]+ 343.96915 183.2
[M+K]+ 364.89849 171.9
[M+H-H2O]+ 308.93259 162.2
[M+HCOO]- 370.93353 169.9
[M+CH3COO]- 384.94918 201.4
[M+Na-2H]- 346.91000 166.9
[M]+ 325.93478 174.4
[M]- 325.93588 174.4
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

No patent data available for this compound.