CID 85540

16672-99-4

Structural Information

Molecular Formula
C20H12O3S
SMILES
C1=CC=C(C=C1)SC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H12O3S/c21-15-10-11-16(24-12-6-2-1-3-7-12)18-17(15)19(22)13-8-4-5-9-14(13)20(18)23/h1-11,21H
InChIKey
UHZBAABNQZKFQO-UHFFFAOYSA-N
Compound name
1-hydroxy-4-phenylsulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

332.05072 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05800 172.9
[M+Na]+ 355.03994 190.1
[M+NH4]+ 350.08454 182.8
[M+K]+ 371.01388 178.7
[M-H]- 331.04344 179.0
[M+Na-2H]- 353.02539 181.5
[M]+ 332.05017 177.9
[M]- 332.05127 177.9
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