CID 10821768

1-(6-acetyl-4-chloropyridin-2-yl)ethan-1-one

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CC(=O)C1=CC(=CC(=N1)C(=O)C)Cl
InChI
InChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3
InChIKey
HVWKKCHGZJFEQD-UHFFFAOYSA-N
Compound name
1-(6-acetyl-4-chloro-2-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

197.02435 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 135.7
[M+Na]+ 220.01357 145.8
[M-H]- 196.01707 138.6
[M+NH4]+ 215.05817 154.9
[M+K]+ 235.98751 142.6
[M+H-H2O]+ 180.02161 130.5
[M+HCOO]- 242.02255 153.3
[M+CH3COO]- 256.03820 184.1
[M+Na-2H]- 217.99902 139.9
[M]+ 197.02380 139.1
[M]- 197.02490 139.1
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.