CID 341768

Displurigen

Structural Information

Molecular Formula
C15H10O4S
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(S2(=O)=O)C(=CC=C3)O
InChI
InChI=1S/C15H10O4S/c16-12-8-4-7-11-13(17)9-14(20(18,19)15(11)12)10-5-2-1-3-6-10/h1-9,16H
InChIKey
BOHKBSYMCUBXPE-UHFFFAOYSA-N
Compound name
8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.02997 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03725 159.2
[M+Na]+ 309.01919 174.7
[M+NH4]+ 304.06379 169.3
[M+K]+ 324.99313 163.6
[M-H]- 285.02269 163.4
[M+Na-2H]- 307.00464 168.9
[M]+ 286.02942 163.4
[M]- 286.03052 163.4
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.