CID 165978756

4,6-dichloro-2-(chloromethyl)-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C7H4Cl3N3
SMILES
C1=C2C(=C(N=C1Cl)Cl)N=C(N2)CCl
InChI
InChI=1S/C7H4Cl3N3/c8-2-5-11-3-1-4(9)12-7(10)6(3)13-5/h1H,2H2,(H,11,13)
InChIKey
CZIYRYXNISATIB-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(chloromethyl)-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.94708 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95436 142.2
[M+Na]+ 257.93630 155.6
[M-H]- 233.93980 140.1
[M+NH4]+ 252.98090 159.7
[M+K]+ 273.91024 148.6
[M+H-H2O]+ 217.94434 135.8
[M+HCOO]- 279.94528 148.1
[M+CH3COO]- 293.96093 154.1
[M+Na-2H]- 255.92175 147.3
[M]+ 234.94653 145.2
[M]- 234.94763 145.2
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

No patent data available for this compound.