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]+ 195.03197 136.6
[M+Na]+ 217.01391 148.1
[M-H]- 193.01741 138.9
[M+NH4]+ 212.05851 157.2
[M+K]+ 232.98785 143.7
[M+H-H2O]+ 177.02195 130.0
[M+HCOO]- 239.02289 155.3
[M+CH3COO]- 253.03854 150.7
[M+Na-2H]- 214.99936 143.9
[M]+ 194.02414 140.9
[M]- 194.02524 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