CID 10062718

5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide

Structural Information

Molecular Formula
C9H7NO4S
SMILES
C1=CC(=CC(=C1)O)C2=CC(=O)NS2(=O)=O
InChI
InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)
InChIKey
FJABEDRGNJSWCC-UHFFFAOYSA-N
Compound name
5-(3-hydroxyphenyl)-1,1-dioxo-1,2-thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

225.00958 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01686 142.9
[M+Na]+ 247.99880 154.1
[M-H]- 224.00230 147.2
[M+NH4]+ 243.04340 163.0
[M+K]+ 263.97274 149.7
[M+H-H2O]+ 208.00684 138.1
[M+HCOO]- 270.00778 160.3
[M+CH3COO]- 284.02343 177.6
[M+Na-2H]- 245.98425 145.8
[M]+ 225.00903 144.1
[M]- 225.01013 144.1
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.