CID 53402463

1-(2,6-dichloropyridin-3-yl)ethanone

Structural Information

Molecular Formula
C7H5Cl2NO
SMILES
CC(=O)C1=C(N=C(C=C1)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO/c1-4(11)5-2-3-6(8)10-7(5)9/h2-3H,1H3
InChIKey
XOEFQKGFPDZVKF-UHFFFAOYSA-N
Compound name
1-(2,6-dichloropyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

188.97482 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98210 132.6
[M+Na]+ 211.96404 148.0
[M+NH4]+ 207.00864 141.7
[M+K]+ 227.93798 140.8
[M-H]- 187.96754 134.3
[M+Na-2H]- 209.94949 140.3
[M]+ 188.97427 135.9
[M]- 188.97537 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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