CID 108978

2,3,5-trichloro-4-(propylthio)pyridine

Structural Information

Molecular Formula
C8H8Cl3NS
SMILES
CCCSC1=C(C(=NC=C1Cl)Cl)Cl
InChI
InChI=1S/C8H8Cl3NS/c1-2-3-13-7-5(9)4-12-8(11)6(7)10/h4H,2-3H2,1H3
InChIKey
AJXXZBRIJJPKSB-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-4-propylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.9443 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95158 144.7
[M+Na]+ 277.93352 155.7
[M-H]- 253.93702 146.1
[M+NH4]+ 272.97812 162.8
[M+K]+ 293.90746 149.5
[M+H-H2O]+ 237.94156 141.1
[M+HCOO]- 299.94250 147.7
[M+CH3COO]- 313.95815 192.1
[M+Na-2H]- 275.91897 145.7
[M]+ 254.94375 150.0
[M]- 254.94485 150.0
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