CID 512357

Chembl149269

Structural Information

Molecular Formula
C11H11F3N2S
SMILES
CC1=CC2=NC=C(N2C=C1)CSCC(F)(F)F
InChI
InChI=1S/C11H11F3N2S/c1-8-2-3-16-9(5-15-10(16)4-8)6-17-7-11(12,13)14/h2-5H,6-7H2,1H3
InChIKey
TUGSTGFRBBNLHS-UHFFFAOYSA-N
Compound name
7-methyl-3-(2,2,2-trifluoroethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.0595 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06678 151.9
[M+Na]+ 283.04872 164.0
[M-H]- 259.05222 150.9
[M+NH4]+ 278.09332 170.4
[M+K]+ 299.02266 158.9
[M+H-H2O]+ 243.05676 143.0
[M+HCOO]- 305.05770 165.6
[M+CH3COO]- 319.07335 193.8
[M+Na-2H]- 281.03417 154.8
[M]+ 260.05895 154.0
[M]- 260.06005 154.0
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.