CID 45076991

1,3-benzothiazole-6-sulfonamide

Structural Information

Molecular Formula
C7H6N2O2S2
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)SC=N2
InChI
InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)
InChIKey
KRRLILAOGRCMFH-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

213.98708 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99436 141.0
[M+Na]+ 236.97630 153.2
[M-H]- 212.97980 144.8
[M+NH4]+ 232.02090 161.8
[M+K]+ 252.95024 148.4
[M+H-H2O]+ 196.98434 136.2
[M+HCOO]- 258.98528 155.9
[M+CH3COO]- 273.00093 181.9
[M+Na-2H]- 234.96175 146.2
[M]+ 213.98653 144.8
[M]- 213.98763 144.8
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

patents stripe