CID 511755

Chembl95348

Structural Information

Molecular Formula
C12H12ClF3N2OS
SMILES
C1=C(C2=NC=C(N2C=C1C(F)(F)F)CSCCCO)Cl
InChI
InChI=1S/C12H12ClF3N2OS/c13-10-4-8(12(14,15)16)6-18-9(5-17-11(10)18)7-20-3-1-2-19/h4-6,19H,1-3,7H2
InChIKey
PKOOYIOXFSLQRO-UHFFFAOYSA-N
Compound name
3-[[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methylsulfanyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.0311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03838 164.7
[M+Na]+ 347.02032 177.0
[M-H]- 323.02382 162.4
[M+NH4]+ 342.06492 180.9
[M+K]+ 362.99426 169.8
[M+H-H2O]+ 307.02836 156.6
[M+HCOO]- 369.02930 172.1
[M+CH3COO]- 383.04495 200.9
[M+Na-2H]- 345.00577 166.0
[M]+ 324.03055 168.9
[M]- 324.03165 168.9
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.