CID 165883337

6-bromo-2-(chloromethyl)-7-methyl-3h-imidazo[4,5-b]pyridine

Structural Information

Molecular Formula
C8H7BrClN3
SMILES
CC1=C2C(=NC=C1Br)N=C(N2)CCl
InChI
InChI=1S/C8H7BrClN3/c1-4-5(9)3-11-8-7(4)12-6(2-10)13-8/h3H,2H2,1H3,(H,11,12,13)
InChIKey
SERNXZIZRBJJOO-UHFFFAOYSA-N
Compound name
6-bromo-2-(chloromethyl)-7-methyl-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9512 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95848 142.9
[M+Na]+ 281.94042 159.4
[M-H]- 257.94392 146.1
[M+NH4]+ 276.98502 163.5
[M+K]+ 297.91436 145.6
[M+H-H2O]+ 241.94846 142.9
[M+HCOO]- 303.94940 157.8
[M+CH3COO]- 317.96505 158.2
[M+Na-2H]- 279.92587 151.1
[M]+ 258.95065 164.5
[M]- 258.95175 164.5
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.