CID 75846

4,4'-dipyridyl disulfide

Structural Information

Molecular Formula
C10H8N2S2
SMILES
C1=CN=CC=C1SSC2=CC=NC=C2
InChI
InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
InChIKey
UHBAPGWWRFVTFS-UHFFFAOYSA-N
Compound name
4-(pyridin-4-yldisulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

142
References

5586
Patents

220.0129 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02018 140.2
[M+Na]+ 243.00212 149.9
[M-H]- 219.00562 144.3
[M+NH4]+ 238.04672 156.7
[M+K]+ 258.97606 144.1
[M+H-H2O]+ 203.01016 132.8
[M+HCOO]- 265.01110 153.0
[M+CH3COO]- 279.02675 152.6
[M+Na-2H]- 240.98757 144.9
[M]+ 220.01235 141.8
[M]- 220.01345 141.8
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