CID 916406

2-(trifluoromethyl)-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C7H4F3N3
SMILES
C1=CC2=C(N=C1)N=C(N2)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H,(H,11,12,13)
InChIKey
ZARGVGOKPZAHDY-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

187.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04302 132.5
[M+Na]+ 210.02496 144.4
[M-H]- 186.02846 128.7
[M+NH4]+ 205.06956 150.6
[M+K]+ 225.99890 139.9
[M+H-H2O]+ 170.03300 123.1
[M+HCOO]- 232.03394 149.5
[M+CH3COO]- 246.04959 145.1
[M+Na-2H]- 208.01041 140.9
[M]+ 187.03519 128.9
[M]- 187.03629 128.9
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

patents stripe