CID 3088794

Brn 5960977

Structural Information

Molecular Formula
C12H10Cl2N2S2
SMILES
C1=CC(=NC(=C1)Cl)CSSCC2=NC(=CC=C2)Cl
InChI
InChI=1S/C12H10Cl2N2S2/c13-11-5-1-3-9(15-11)7-17-18-8-10-4-2-6-12(14)16-10/h1-6H,7-8H2
InChIKey
ZIXFFJHJUSBVHR-UHFFFAOYSA-N
Compound name
2-chloro-6-[[(6-chloropyridin-2-yl)methyldisulfanyl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.96625 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.97353 157.8
[M+Na]+ 338.95547 168.3
[M-H]- 314.95897 161.5
[M+NH4]+ 334.00007 172.1
[M+K]+ 354.92941 160.2
[M+H-H2O]+ 298.96351 151.6
[M+HCOO]- 360.96445 160.2
[M+CH3COO]- 374.98010 168.7
[M+Na-2H]- 336.94092 159.2
[M]+ 315.96570 163.3
[M]- 315.96680 163.3
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.