CID 132354098

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

Structural Information

Molecular Formula
C8H5F3IN3
SMILES
CN1C2=C(C=C(C=N2)C(F)(F)F)N=C1I
InChI
InChI=1S/C8H5F3IN3/c1-15-6-5(14-7(15)12)2-4(3-13-6)8(9,10)11/h2-3H,1H3
InChIKey
NMEUDZVYRQZJLM-UHFFFAOYSA-N
Compound name
2-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

326.94803 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.95531 139.4
[M+Na]+ 349.93725 145.8
[M-H]- 325.94075 130.9
[M+NH4]+ 344.98185 152.8
[M+K]+ 365.91119 147.5
[M+H-H2O]+ 309.94529 126.9
[M+HCOO]- 371.94623 152.9
[M+CH3COO]- 385.96188 195.9
[M+Na-2H]- 347.92270 135.1
[M]+ 326.94748 136.6
[M]- 326.94858 136.6
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