CID 124707655

6-hydroxy-4h-thiochromen-4-one

Structural Information

Molecular Formula
C9H6O2S
SMILES
C1=CC2=C(C=C1O)C(=O)C=CS2
InChI
InChI=1S/C9H6O2S/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5,10H
InChIKey
PKQQBCNPWMDBGG-UHFFFAOYSA-N
Compound name
6-hydroxythiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01613 131.2
[M+Na]+ 200.99807 146.0
[M+NH4]+ 196.04267 141.4
[M+K]+ 216.97201 137.0
[M-H]- 177.00157 134.5
[M+Na-2H]- 198.98352 138.9
[M]+ 178.00830 134.9
[M]- 178.00940 134.9
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