CID 16474

2,2'-dithiobis(5-nitropyridine)

Structural Information

Molecular Formula
C10H6N4O4S2
SMILES
C1=CC(=NC=C1[N+](=O)[O-])SSC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H6N4O4S2/c15-13(16)7-1-3-9(11-5-7)19-20-10-4-2-8(6-12-10)14(17)18/h1-6H
InChIKey
ROUFCTKIILEETD-UHFFFAOYSA-N
Compound name
5-nitro-2-[(5-nitropyridin-2-yl)disulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

2086
Patents

309.98303 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99031 156.6
[M+Na]+ 332.97225 170.4
[M+NH4]+ 328.01685 163.8
[M+K]+ 348.94619 166.0
[M-H]- 308.97575 161.9
[M+Na-2H]- 330.95770 164.0
[M]+ 309.98248 160.6
[M]- 309.98358 160.6
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