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]+ 349.05290 174.6
[M+Na]+ 371.03484 186.2
[M-H]- 347.03834 182.1
[M+NH4]+ 366.07944 193.2
[M+K]+ 387.00878 180.8
[M+H-H2O]+ 331.04288 168.8
[M+HCOO]- 393.04382 186.4
[M+CH3COO]- 407.05947 186.2
[M+Na-2H]- 369.02029 180.5
[M]+ 348.04507 178.1
[M]- 348.04617 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.