CID 957540

1-bromo-3-phenylimidazo[1,5-a]pyridine

Structural Information

Molecular Formula
C13H9BrN2
SMILES
C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)Br
InChI
InChI=1S/C13H9BrN2/c14-12-11-8-4-5-9-16(11)13(15-12)10-6-2-1-3-7-10/h1-9H
InChIKey
ULKZZBGVTIZXSA-UHFFFAOYSA-N
Compound name
1-bromo-3-phenylimidazo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.9949 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.00218 151.7
[M+Na]+ 294.98412 165.9
[M-H]- 270.98762 160.2
[M+NH4]+ 290.02872 172.2
[M+K]+ 310.95806 153.7
[M+H-H2O]+ 254.99216 150.8
[M+HCOO]- 316.99310 173.6
[M+CH3COO]- 331.00875 167.2
[M+Na-2H]- 292.96957 160.9
[M]+ 271.99435 171.9
[M]- 271.99545 171.9
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