CID 153609

75007-86-2

Structural Information

Molecular Formula
C12H8BrN3
SMILES
C1=CC2=C(N=C1)N=C(N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C12H8BrN3/c13-9-5-3-8(4-6-9)11-15-10-2-1-7-14-12(10)16-11/h1-7H,(H,14,15,16)
InChIKey
VSESNXXKQZZRMB-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99017 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99745 150.6
[M+Na]+ 295.97939 164.7
[M-H]- 271.98289 156.6
[M+NH4]+ 291.02399 169.0
[M+K]+ 311.95333 151.7
[M+H-H2O]+ 255.98743 149.4
[M+HCOO]- 317.98837 170.1
[M+CH3COO]- 332.00402 165.2
[M+Na-2H]- 293.96484 160.0
[M]+ 272.98962 169.3
[M]- 272.99072 169.3
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

No patent data available for this compound.