CID 72217542

1-(5-chloro-6-methylpyridin-2-yl)ethanone

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CC1=C(C=CC(=N1)C(=O)C)Cl
InChI
InChI=1S/C8H8ClNO/c1-5-7(9)3-4-8(10-5)6(2)11/h3-4H,1-2H3
InChIKey
MVANOOSQRMJBMG-UHFFFAOYSA-N
Compound name
1-(5-chloro-6-methylpyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

169.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 129.8
[M+Na]+ 192.01865 140.4
[M-H]- 168.02215 132.7
[M+NH4]+ 187.06325 150.4
[M+K]+ 207.99259 137.1
[M+H-H2O]+ 152.02669 124.8
[M+HCOO]- 214.02763 148.3
[M+CH3COO]- 228.04328 179.0
[M+Na-2H]- 190.00410 135.8
[M]+ 169.02888 132.7
[M]- 169.02998 132.7
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