CID 341768

96156-26-2

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 158.8
[M+Na]+ 309.01919 170.0
[M-H]- 285.02269 166.2
[M+NH4]+ 304.06379 177.5
[M+K]+ 324.99313 164.7
[M+H-H2O]+ 269.02723 152.3
[M+HCOO]- 331.02817 175.9
[M+CH3COO]- 345.04382 171.7
[M+Na-2H]- 307.00464 164.4
[M]+ 286.02942 161.7
[M]- 286.03052 161.7
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.