CID 458291

Bis(p-benzoylbenzoyl) disulfide

Structural Information

Molecular Formula
C28H18O4S2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)SSC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H18O4S2/c29-25(19-7-3-1-4-8-19)21-11-15-23(16-12-21)27(31)33-34-28(32)24-17-13-22(14-18-24)26(30)20-9-5-2-6-10-20/h1-18H
InChIKey
FLPZAFQVTFAMAU-UHFFFAOYSA-N
Compound name
S-(4-benzoylbenzoyl)sulfanyl 4-benzoylbenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.06464 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.07192 214.8
[M+Na]+ 505.05386 219.0
[M-H]- 481.05736 225.7
[M+NH4]+ 500.09846 221.2
[M+K]+ 521.02780 211.8
[M+H-H2O]+ 465.06190 204.6
[M+HCOO]- 527.06284 224.1
[M+CH3COO]- 541.07849 221.5
[M+Na-2H]- 503.03931 212.3
[M]+ 482.06409 217.0
[M]- 482.06519 217.0
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

No patent data available for this compound.