CID 510907

2-[(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol

Structural Information

Molecular Formula
C10H9Cl3N2OS
SMILES
C1=C(C(=CN2C1=NC(=C2CSCCO)Cl)Cl)Cl
InChI
InChI=1S/C10H9Cl3N2OS/c11-6-3-9-14-10(13)8(5-17-2-1-16)15(9)4-7(6)12/h3-4,16H,1-2,5H2
InChIKey
DEEBLJQDSVUWCI-UHFFFAOYSA-N
Compound name
2-[(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.9501 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.95738 159.7
[M+Na]+ 332.93932 172.8
[M-H]- 308.94282 160.0
[M+NH4]+ 327.98392 176.9
[M+K]+ 348.91326 165.7
[M+H-H2O]+ 292.94736 155.5
[M+HCOO]- 354.94830 161.7
[M+CH3COO]- 368.96395 171.1
[M+Na-2H]- 330.92477 160.1
[M]+ 309.94955 167.4
[M]- 309.95065 167.4
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.