CID 62197166

5-amino-1-[(2,4-difluorophenyl)methyl]-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C12H10F2N2O
SMILES
C1=CC(=C(C=C1F)F)CN2C=C(C=CC2=O)N
InChI
InChI=1S/C12H10F2N2O/c13-9-2-1-8(11(14)5-9)6-16-7-10(15)3-4-12(16)17/h1-5,7H,6,15H2
InChIKey
KDXJTXBIHMVFRW-UHFFFAOYSA-N
Compound name
5-amino-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07613 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08341 150.8
[M+Na]+ 259.06535 163.9
[M+NH4]+ 254.10995 157.4
[M+K]+ 275.03929 156.9
[M-H]- 235.06885 152.2
[M+Na-2H]- 257.05080 158.2
[M]+ 236.07558 152.9
[M]- 236.07668 152.9
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.