CID 11187131

94109-78-1

Structural Information

Molecular Formula
C20H12O4S
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)SC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H12O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)24-20/h1-10,21-22H
InChIKey
PTTMNOGNUQNMFO-UHFFFAOYSA-N
Compound name
3',6'-dihydroxyspiro[2-benzofuran-3,9'-thioxanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.04562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.052896 174.6
[M+Na]+ 371.034838 186.2
[M-H]- 347.038344 182.1
[M+NH4]+ 366.079443 193.2
[M+K]+ 387.008778 180.8
[M+H-H2O]+ 331.042880 168.8
[M+HCOO]- 393.043821 186.4
[M+CH3COO]- 407.059471 186.2
[M+Na-2H]- 369.020286 180.5
[M]+ 348.04507142 178.1
[M]- 348.04616858 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.