CID 44828743

1-hydroxy-1-oxo-1,2-benzothiazol-3-one

Structural Information

Molecular Formula
C7H5NO3S
SMILES
C1=CC=C2C(=C1)C(=O)N=S2(=O)O
InChI
InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9,10,11)
InChIKey
BOVDVPFUOLVPBG-UHFFFAOYSA-N
Compound name
1-hydroxy-1-oxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.99901 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.006286 131.0
[M+Na]+ 205.988228 143.8
[M-H]- 181.991734 134.5
[M+NH4]+ 201.032833 154.9
[M+K]+ 221.962168 140.5
[M+H-H2O]+ 165.996270 126.9
[M+HCOO]- 227.997211 150.1
[M+CH3COO]- 242.012861 173.0
[M+Na-2H]- 203.973676 137.6
[M]+ 182.99846142 135.1
[M]- 182.99955858 135.1
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

No patent data available for this compound.