CID 25906

Anthraquinone, 2-(phenylthio)-

Structural Information

Molecular Formula
C20H12O2S
SMILES
C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H12O2S/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)23-13-6-2-1-3-7-13/h1-12H
InChIKey
UHLJBBJJVKIIOY-UHFFFAOYSA-N
Compound name
2-phenylsulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

316.0558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06308 169.0
[M+Na]+ 339.04502 187.0
[M+NH4]+ 334.08962 179.9
[M+K]+ 355.01896 174.5
[M-H]- 315.04852 176.1
[M+Na-2H]- 337.03047 178.9
[M]+ 316.05525 174.5
[M]- 316.05635 174.5
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