CID 11491998

80567-65-3

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CC2=C(C=C1O)SC(=O)N2
InChI
InChI=1S/C7H5NO2S/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey
IOAXKKHMBVTXJX-UHFFFAOYSA-N
Compound name
6-hydroxy-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

167.0041 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01138 129.4
[M+Na]+ 189.99332 142.7
[M+NH4]+ 185.03792 138.4
[M+K]+ 205.96726 136.6
[M-H]- 165.99682 130.5
[M+Na-2H]- 187.97877 135.1
[M]+ 167.00355 132.0
[M]- 167.00465 132.0
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