CID 4868389

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

Structural Information

Molecular Formula
C8H6Cl2N2
SMILES
C1=CC2=NC(=CN2C=C1Cl)CCl
InChI
InChI=1S/C8H6Cl2N2/c9-3-7-5-12-4-6(10)1-2-8(12)11-7/h1-2,4-5H,3H2
InChIKey
DXVDJNHXCPDUIU-UHFFFAOYSA-N
Compound name
6-chloro-2-(chloromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

199.9908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.998076 136.3
[M+Na]+ 222.980018 149.4
[M-H]- 198.983524 137.9
[M+NH4]+ 218.024623 157.3
[M+K]+ 238.953958 143.6
[M+H-H2O]+ 182.988060 130.2
[M+HCOO]- 244.989001 150.5
[M+CH3COO]- 259.004651 150.3
[M+Na-2H]- 220.965466 143.5
[M]+ 199.99025142 141.1
[M]- 199.99134858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe