CID 12022712

250603-07-7

Structural Information

Molecular Formula

C₈H₆Cl₂N₂

SMILES

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

InChI

InChI=1S/C8H6Cl2N2/c9-4-6-5-12-7(10)2-1-3-8(12)11-6/h1-3,5H,4H2

InChIKey

REUDNXSIFYNMOE-UHFFFAOYSA-N

Compound name

5-chloro-2-(chloromethyl)imidazo[1,2-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 199.9908 Da
Monoisotopic Mass: 3.1
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]+	200.99808	136.3
[M+Na]+	222.98002	149.4
[M-H]-	198.98352	137.9
[M+NH4]+	218.02462	157.3
[M+K]+	238.95396	143.6
[M+H-H2O]+	182.98806	130.2
[M+HCOO]-	244.98900	150.5
[M+CH3COO]-	259.00465	150.3
[M+Na-2H]-	220.96547	143.5
[M]+	199.99025	141.1
[M]-	199.99135	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe