CID 83894949

3-bromo-6-chloroimidazo[1,5-a]pyridine

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=CC(=CN2C1=CN=C2Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-7-10-3-6-2-1-5(9)4-11(6)7/h1-4H
InChIKey
PMVMQNNDPVEJGG-UHFFFAOYSA-N
Compound name
3-bromo-6-chloroimidazo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.92464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.931916 134.7
[M+Na]+ 252.913858 151.4
[M-H]- 228.917364 140.4
[M+NH4]+ 247.958463 158.1
[M+K]+ 268.887798 138.8
[M+H-H2O]+ 212.921900 135.3
[M+HCOO]- 274.922841 152.7
[M+CH3COO]- 288.938491 151.5
[M+Na-2H]- 250.899306 144.7
[M]+ 229.92409142 157.0
[M]- 229.92518858 157.0
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.