CID 91914

9,10-anthracenedione, 1,5-bis(phenylthio)-

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

88
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 196.7
[M+Na]+ 447.04839 206.1
[M-H]- 423.05189 207.0
[M+NH4]+ 442.09299 209.0
[M+K]+ 463.02233 197.0
[M+H-H2O]+ 407.05643 187.5
[M+HCOO]- 469.05737 207.0
[M+CH3COO]- 483.07302 205.9
[M+Na-2H]- 445.03384 199.7
[M]+ 424.05862 199.6
[M]- 424.05972 199.6
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