CID 23054858

1-(difluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CC(=O)N(C=C1)C(F)F
InChI
InChI=1S/C6H5F2NO/c7-6(8)9-4-2-1-3-5(9)10/h1-4,6H
InChIKey
DEYHNOZVCPVIQL-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

32
Patents

145.03392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.041196 121.4
[M+Na]+ 168.023138 131.1
[M-H]- 144.026644 121.6
[M+NH4]+ 163.067743 141.6
[M+K]+ 183.997078 129.4
[M+H-H2O]+ 128.031180 113.7
[M+HCOO]- 190.032121 143.0
[M+CH3COO]- 204.047771 173.5
[M+Na-2H]- 166.008586 128.3
[M]+ 145.03337142 118.9
[M]- 145.03446858 118.9
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

patents stripe