CID 21051215

2-chloro-1-{imidazo[1,2-a]pyridin-3-yl}ethan-1-one

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC2=NC=C(N2C=C1)C(=O)CCl
InChI
InChI=1S/C9H7ClN2O/c10-5-8(13)7-6-11-9-3-1-2-4-12(7)9/h1-4,6H,5H2
InChIKey
UVOLKBWZZWMOEO-UHFFFAOYSA-N
Compound name
2-chloro-1-imidazo[1,2-a]pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

194.02469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 136.6
[M+Na]+ 217.013908 148.1
[M-H]- 193.017414 138.9
[M+NH4]+ 212.058513 157.2
[M+K]+ 232.987848 143.7
[M+H-H2O]+ 177.021950 130.0
[M+HCOO]- 239.022891 155.3
[M+CH3COO]- 253.038541 150.7
[M+Na-2H]- 214.999356 143.9
[M]+ 194.02414142 140.9
[M]- 194.02523858 140.9
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