CID 83650

13676-91-0

Structural Information

Molecular Formula

C₂₆H₁₆O₂S₂

SMILES

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H

InChIKey

CNRPDCKHCGUKDK-UHFFFAOYSA-N

Compound name

1,8-bis(phenylsulfanyl)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2048
Patents: 424.05917 Da
Monoisotopic Mass: 7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	425.06645	191.6
[M+Na]+	447.04839	210.6
[M+NH4]+	442.09299	202.6
[M+K]+	463.02233	195.1
[M-H]-	423.05189	201.2
[M+Na-2H]-	445.03384	203.3
[M]+	424.05862	198.5
[M]-	424.05972	198.5

Literature stripe

literature stripe

Patent stripe

patents stripe