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 148.1
[M+Na]+ 259.06535 158.9
[M-H]- 235.06885 151.5
[M+NH4]+ 254.10995 164.5
[M+K]+ 275.03929 153.8
[M+H-H2O]+ 219.07339 138.6
[M+HCOO]- 281.07433 170.5
[M+CH3COO]- 295.08998 194.2
[M+Na-2H]- 257.05080 152.5
[M]+ 236.07558 145.4
[M]- 236.07668 145.4
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.