CID 84313677

5-chloro-1-(prop-2-yn-1-yl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C#CCN1C=C(C=CC1=O)Cl
InChI
InChI=1S/C8H6ClNO/c1-2-5-10-6-7(9)3-4-8(10)11/h1,3-4,6H,5H2
InChIKey
ZSLUISVFGPSFCO-UHFFFAOYSA-N
Compound name
5-chloro-1-prop-2-ynylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0138 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 128.5
[M+Na]+ 190.00302 143.1
[M+NH4]+ 185.04762 133.8
[M+K]+ 205.97696 133.1
[M-H]- 166.00652 122.4
[M+Na-2H]- 187.98847 133.3
[M]+ 167.01325 128.4
[M]- 167.01435 128.4
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.