CID 3475179

6-chloro-5-hydroxy-2h-1,3-benzoxathiol-2-one

Structural Information

Molecular Formula
C7H3ClO3S
SMILES
C1=C(C(=CC2=C1SC(=O)O2)Cl)O
InChI
InChI=1S/C7H3ClO3S/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2,9H
InChIKey
FEBBRBNJALULIG-UHFFFAOYSA-N
Compound name
6-chloro-5-hydroxy-1,3-benzoxathiol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.94914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.956416 132.4
[M+Na]+ 224.938358 146.7
[M-H]- 200.941864 138.5
[M+NH4]+ 219.982963 154.9
[M+K]+ 240.912298 143.1
[M+H-H2O]+ 184.946400 129.7
[M+HCOO]- 246.947341 148.6
[M+CH3COO]- 260.962991 148.4
[M+Na-2H]- 222.923806 138.2
[M]+ 201.94859142 140.5
[M]- 201.94968858 140.5
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.