CID 3076804

132458-91-4

Structural Information

Molecular Formula
C12H8ClN3
SMILES
C1=CC2=C(N=C1)N(C=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H8ClN3/c13-9-3-5-10(6-4-9)16-8-15-11-2-1-7-14-12(11)16/h1-8H
InChIKey
QYAXUWDKMUDVRC-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.04068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.047956 146.7
[M+Na]+ 252.029898 159.3
[M-H]- 228.033404 150.9
[M+NH4]+ 247.074503 164.4
[M+K]+ 268.003838 152.8
[M+H-H2O]+ 212.037940 137.8
[M+HCOO]- 274.038881 164.9
[M+CH3COO]- 288.054531 160.2
[M+Na-2H]- 250.015346 154.9
[M]+ 229.04013142 150.3
[M]- 229.04122858 150.3
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

patents stripe