CID 6852129

6-hydroxy-1,3-benzothiazole-2-sulfonamide

Structural Information

Molecular Formula
C7H6N2O3S2
SMILES
C1=CC2=C(C=C1O)SC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
InChIKey
NOOBQTYVTDBXTL-UHFFFAOYSA-N
Compound name
6-hydroxy-1,3-benzothiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

929
Patents

229.98198 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.989256 144.1
[M+Na]+ 252.971198 156.2
[M-H]- 228.974704 146.7
[M+NH4]+ 248.015803 163.5
[M+K]+ 268.945138 151.0
[M+H-H2O]+ 212.979240 139.6
[M+HCOO]- 274.980181 157.6
[M+CH3COO]- 288.995831 182.8
[M+Na-2H]- 250.956646 148.7
[M]+ 229.98143142 147.7
[M]- 229.98252858 147.7
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