CID 91914

55879-96-4

Structural Information

Molecular Formula
C26H16O2S2
SMILES
C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5
InChI
InChI=1S/C26H16O2S2/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H
InChIKey
JGDLEVAYNWLIKN-UHFFFAOYSA-N
Compound name
1,5-bis(phenylsulfanyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

424.05917 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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