CID 112284

Bis(4-(methylthio)-2-nitrophenyl) disulfide

Structural Information

Molecular Formula
C14H12N2O4S4
SMILES
CSC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)SC)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4S4/c1-21-9-3-5-13(11(7-9)15(17)18)23-24-14-6-4-10(22-2)8-12(14)16(19)20/h3-8H,1-2H3
InChIKey
DWMWOPWJCOBNBE-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-1-[(4-methylsulfanyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.968 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.97528 171.0
[M+Na]+ 422.95722 182.2
[M+NH4]+ 418.00182 178.7
[M+K]+ 438.93116 174.6
[M-H]- 398.96072 177.0
[M+Na-2H]- 420.94267 176.2
[M]+ 399.96745 175.7
[M]- 399.96855 175.7
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.