CID 10197960

2-mercaptobenzo[d]thiazol-6-ol

Structural Information

Molecular Formula
C7H5NOS2
SMILES
C1=CC2=C(C=C1O)SC(=S)N2
InChI
InChI=1S/C7H5NOS2/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey
SZNXHOMOAFJDRV-UHFFFAOYSA-N
Compound name
6-hydroxy-3H-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

67
Patents

182.98126 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.98854 130.2
[M+Na]+ 205.97048 143.1
[M-H]- 181.97398 132.2
[M+NH4]+ 201.01508 151.9
[M+K]+ 221.94442 136.8
[M+H-H2O]+ 165.97852 126.4
[M+HCOO]- 227.97946 143.1
[M+CH3COO]- 241.99511 144.2
[M+Na-2H]- 203.95593 133.5
[M]+ 182.98071 132.4
[M]- 182.98181 132.4
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

patents stripe