CID 155858811

2580250-13-9

Structural Information

Molecular Formula

C₁₀H₈BrClN₂O₂

SMILES

COC(=O)C1=CN2C=C(N=C2C(=C1)Br)CCl

InChI

InChI=1S/C10H8BrClN2O2/c1-16-10(15)6-2-8(11)9-13-7(3-12)5-14(9)4-6/h2,4-5H,3H2,1H3

InChIKey

SZMGBDGNPHFBRT-UHFFFAOYSA-N

Compound name

methyl 8-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.94577 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	302.953046	152.7
[M+Na]+	324.934988	168.6
[M-H]-	300.938494	158.5
[M+NH4]+	319.979593	173.4
[M+K]+	340.908928	156.2
[M+H-H2O]+	284.943030	152.8
[M+HCOO]-	346.943971	169.3
[M+CH3COO]-	360.959621	196.9
[M+Na-2H]-	322.920436	159.4
[M]+	301.94522142	177.7
[M]-	301.94631858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.