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

5
Patents

201.05138 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05866 137.6
[M+Na]+ 224.04060 150.1
[M-H]- 200.04410 134.1
[M+NH4]+ 219.08520 155.5
[M+K]+ 240.01454 145.2
[M+H-H2O]+ 184.04864 128.3
[M+HCOO]- 246.04958 154.3
[M+CH3COO]- 260.06523 181.3
[M+Na-2H]- 222.02605 144.7
[M]+ 201.05083 134.7
[M]- 201.05193 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