CID 47002833

2-{6,8-dichloroimidazo[1,2-a]pyridin-2-yl}acetonitrile

Structural Information

Molecular Formula
C9H5Cl2N3
SMILES
C1=C(C2=NC(=CN2C=C1Cl)CC#N)Cl
InChI
InChI=1S/C9H5Cl2N3/c10-6-3-8(11)9-13-7(1-2-12)5-14(9)4-6/h3-5H,1H2
InChIKey
GKJYFHCZDMYNHZ-UHFFFAOYSA-N
Compound name
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.98605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99333 145.0
[M+Na]+ 247.97527 160.1
[M-H]- 223.97877 145.8
[M+NH4]+ 243.01987 163.0
[M+K]+ 263.94921 152.4
[M+H-H2O]+ 207.98331 132.2
[M+HCOO]- 269.98425 156.0
[M+CH3COO]- 283.99990 156.9
[M+Na-2H]- 245.96072 150.3
[M]+ 224.98550 144.8
[M]- 224.98660 144.8
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.