CID 11622894

136117-72-1

Structural Information

Molecular Formula

C₈H₆BrClN₂

SMILES

C1=CC2=NC(=CN2C=C1Br)CCl

InChI

InChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2

InChIKey

YEXHHHNCGSIJLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 243.94029 Da
Monoisotopic Mass: 2.9
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]+	244.94757	139.4
[M+Na]+	266.92951	155.7
[M-H]-	242.93301	144.9
[M+NH4]+	261.97411	162.3
[M+K]+	282.90345	142.8
[M+H-H2O]+	226.93755	139.8
[M+HCOO]-	288.93849	157.1
[M+CH3COO]-	302.95414	155.8
[M+Na-2H]-	264.91496	148.8
[M]+	243.93974	162.1
[M]-	243.94084	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe