CID 251103

4-hydroxy-1,3-benzoxathiol-2-one

Structural Information

Molecular Formula
C7H4O3S
SMILES
C1=CC(=C2C(=C1)OC(=O)S2)O
InChI
InChI=1S/C7H4O3S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,8H
InChIKey
NPSJCZBBMWLOLH-UHFFFAOYSA-N
Compound name
4-hydroxy-1,3-benzoxathiol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

167.98811 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.99539 127.7
[M+Na]+ 190.97733 141.6
[M+NH4]+ 186.02193 137.2
[M+K]+ 206.95127 135.9
[M-H]- 166.98083 131.0
[M+Na-2H]- 188.96278 133.6
[M]+ 167.98756 131.2
[M]- 167.98866 131.2
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

patents stripe