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]+ 202.95642 132.4
[M+Na]+ 224.93836 146.7
[M-H]- 200.94186 138.5
[M+NH4]+ 219.98296 154.9
[M+K]+ 240.91230 143.1
[M+H-H2O]+ 184.94640 129.7
[M+HCOO]- 246.94734 148.6
[M+CH3COO]- 260.96299 148.4
[M+Na-2H]- 222.92381 138.2
[M]+ 201.94859 140.5
[M]- 201.94969 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.