CID 129958100

2-methyl-6-(trifluoromethyl)-3h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C8H6F3N3
SMILES
CC1=NC2=CC(=NC=C2N1)C(F)(F)F
InChI
InChI=1S/C8H6F3N3/c1-4-13-5-2-7(8(9,10)11)12-3-6(5)14-4/h2-3H,1H3,(H,13,14)
InChIKey
RTTRMYISVZPIJA-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.05138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.058656 137.6
[M+Na]+ 224.040598 150.1
[M-H]- 200.044104 134.1
[M+NH4]+ 219.085203 155.5
[M+K]+ 240.014538 145.2
[M+H-H2O]+ 184.048640 128.3
[M+HCOO]- 246.049581 154.3
[M+CH3COO]- 260.065231 181.3
[M+Na-2H]- 222.026046 144.7
[M]+ 201.05083142 134.7
[M]- 201.05192858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe