CID 273770

9,10-anthracenedione, 1,1'-dithiobis-

Structural Information

Molecular Formula
C28H14O4S2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SSC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C28H14O4S2/c29-25-15-7-1-3-9-17(15)27(31)23-19(25)11-5-13-21(23)33-34-22-14-6-12-20-24(22)28(32)18-10-4-2-8-16(18)26(20)30/h1-14H
InChIKey
DFASTHACKVACMB-UHFFFAOYSA-N
Compound name
1-[(9,10-dioxoanthracen-1-yl)disulfanyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

478.03336 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.04064 206.3
[M+Na]+ 501.02258 215.9
[M-H]- 477.02608 214.7
[M+NH4]+ 496.06718 218.0
[M+K]+ 516.99652 207.9
[M+H-H2O]+ 461.03062 196.8
[M+HCOO]- 523.03156 212.7
[M+CH3COO]- 537.04721 214.3
[M+Na-2H]- 499.00803 210.6
[M]+ 478.03281 211.1
[M]- 478.03391 211.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe