CID 122155795

7-bromo-1-methyl-2-(trifluoromethyl)-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C8H5BrF3N3
SMILES
CN1C2=C(C=NC=C2N=C1C(F)(F)F)Br
InChI
InChI=1S/C8H5BrF3N3/c1-15-6-4(9)2-13-3-5(6)14-7(15)8(10,11)12/h2-3H,1H3
InChIKey
AGBHYKWVDNCYPS-UHFFFAOYSA-N
Compound name
7-bromo-1-methyl-2-(trifluoromethyl)imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

278.96188 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.969156 150.9
[M+Na]+ 301.951098 167.4
[M-H]- 277.954604 152.1
[M+NH4]+ 296.995703 170.5
[M+K]+ 317.925038 155.2
[M+H-H2O]+ 261.959140 148.2
[M+HCOO]- 323.960081 167.1
[M+CH3COO]- 337.975731 194.7
[M+Na-2H]- 299.936546 158.4
[M]+ 278.96133142 168.8
[M]- 278.96242858 168.8
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