CID 340405

4h-1-benzopyran-4-one, 3,3'-dithiobis-

Structural Information

Molecular Formula
C18H10O4S2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)SSC3=COC4=CC=CC=C4C3=O
InChI
InChI=1S/C18H10O4S2/c19-17-11-5-1-3-7-13(11)21-9-15(17)23-24-16-10-22-14-8-4-2-6-12(14)18(16)20/h1-10H
InChIKey
MULZBSUWIURFBE-UHFFFAOYSA-N
Compound name
3-[(4-oxochromen-3-yl)disulfanyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.00204 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00932 173.8
[M+Na]+ 376.99126 186.9
[M-H]- 352.99476 184.6
[M+NH4]+ 372.03586 187.3
[M+K]+ 392.96520 182.6
[M+H-H2O]+ 336.99930 166.6
[M+HCOO]- 399.00024 187.5
[M+CH3COO]- 413.01589 186.5
[M+Na-2H]- 374.97671 181.8
[M]+ 354.00149 182.9
[M]- 354.00259 182.9
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.