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]+ 225.993326 145.0
[M+Na]+ 247.975268 160.1
[M-H]- 223.978774 145.8
[M+NH4]+ 243.019873 163.0
[M+K]+ 263.949208 152.4
[M+H-H2O]+ 207.983310 132.2
[M+HCOO]- 269.984251 156.0
[M+CH3COO]- 283.999901 156.9
[M+Na-2H]- 245.960716 150.3
[M]+ 224.98550142 144.8
[M]- 224.98659858 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.