CID 75846

2645-22-9

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

3436
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.