CID 4773044

6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

Structural Information

Molecular Formula
C8H5Cl3N2
SMILES
C1=C(C2=NC(=CN2C=C1Cl)CCl)Cl
InChI
InChI=1S/C8H5Cl3N2/c9-2-6-4-13-3-5(10)1-7(11)8(13)12-6/h1,3-4H,2H2
InChIKey
BLLWVDZFZPTMPB-UHFFFAOYSA-N
Compound name
6,8-dichloro-2-(chloromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.95183 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95911 143.3
[M+Na]+ 256.94105 156.9
[M-H]- 232.94455 143.8
[M+NH4]+ 251.98565 162.9
[M+K]+ 272.91499 150.4
[M+H-H2O]+ 216.94909 137.6
[M+HCOO]- 278.95003 151.7
[M+CH3COO]- 292.96568 156.2
[M+Na-2H]- 254.92650 148.4
[M]+ 233.95128 148.2
[M]- 233.95238 148.2
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

patents stripe