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]+ 168.021076 128.7
[M+Na]+ 190.003018 141.7
[M-H]- 166.006524 129.9
[M+NH4]+ 185.047623 146.9
[M+K]+ 205.976958 136.3
[M+H-H2O]+ 150.011060 117.5
[M+HCOO]- 212.012001 142.8
[M+CH3COO]- 226.027651 185.2
[M+Na-2H]- 187.988466 134.7
[M]+ 167.01325142 125.7
[M]- 167.01434858 125.7
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

No patent data available for this compound.