CID 275693

23837-16-3

Structural Information

Molecular Formula
C19H15NO2S2
SMILES
C1=CC=C(C=C1)SC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3
InChI
InChI=1S/C19H15NO2S2/c21-20(22)16-13-11-15(12-14-16)19(23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H
InChIKey
VATMOCAQFBBCCY-UHFFFAOYSA-N
Compound name
1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0544 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06168 169.3
[M+Na]+ 376.04362 185.1
[M+NH4]+ 371.08822 179.4
[M+K]+ 392.01756 175.0
[M-H]- 352.04712 178.4
[M+Na-2H]- 374.02907 181.2
[M]+ 353.05385 175.3
[M]- 353.05495 175.3
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

No patent data available for this compound.