CID 87918

Pyridine, 2,3,5,6-tetrachloro-4-(propylthio)-

Structural Information

Molecular Formula
C8H7Cl4NS
SMILES
CCCSC1=C(C(=NC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C8H7Cl4NS/c1-2-3-14-6-4(9)7(11)13-8(12)5(6)10/h2-3H2,1H3
InChIKey
SFZLAIOIVCOPBG-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-4-propylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.90533 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91261 151.2
[M+Na]+ 311.89455 161.9
[M-H]- 287.89805 151.2
[M+NH4]+ 306.93915 167.6
[M+K]+ 327.86849 155.9
[M+H-H2O]+ 271.90259 148.2
[M+HCOO]- 333.90353 148.6
[M+CH3COO]- 347.91918 199.0
[M+Na-2H]- 309.88000 150.1
[M]+ 288.90478 155.4
[M]- 288.90588 155.4
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

patents stripe