CID 510908

2,6,7-trichloro-3-(benzylthiomethyl)imidazol[1,2-a]pyridine

Structural Information

Molecular Formula
C15H11Cl3N2S
SMILES
C1=CC=C(C=C1)CSCC2=C(N=C3N2C=C(C(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N2S/c16-11-6-14-19-15(18)13(20(14)7-12(11)17)9-21-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKey
LGSMMWSHBAMUHV-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-2,6,7-trichloroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.97086 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97814 174.7
[M+Na]+ 378.96008 188.0
[M-H]- 354.96358 178.9
[M+NH4]+ 374.00468 190.5
[M+K]+ 394.93402 179.7
[M+H-H2O]+ 338.96812 168.2
[M+HCOO]- 400.96906 177.8
[M+CH3COO]- 414.98471 185.7
[M+Na-2H]- 376.94553 175.0
[M]+ 355.97031 182.8
[M]- 355.97141 182.8
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

No patent data available for this compound.