CID 512361

Chembl146344

Structural Information

Molecular Formula
C16H12ClF3N2S
SMILES
C1=CC=C(C=C1)CSCC2=CN=C3N2C=C(C=C3Cl)C(F)(F)F
InChI
InChI=1S/C16H12ClF3N2S/c17-14-6-12(16(18,19)20)8-22-13(7-21-15(14)22)10-23-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKey
WRASOZIAWFIMJQ-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.0362 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04348 175.4
[M+Na]+ 379.02542 188.2
[M-H]- 355.02892 177.5
[M+NH4]+ 374.07002 190.6
[M+K]+ 394.99936 179.8
[M+H-H2O]+ 339.03346 165.5
[M+HCOO]- 401.03440 184.3
[M+CH3COO]- 415.05005 186.3
[M+Na-2H]- 377.01087 177.0
[M]+ 356.03565 179.3
[M]- 356.03675 179.3
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.