CID 62101956

3-amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
C1=CN(C(=O)C(=C1)N)CC(F)F
InChI
InChI=1S/C7H8F2N2O/c8-6(9)4-11-3-1-2-5(10)7(11)12/h1-3,6H,4,10H2
InChIKey
ZHPOARJZMDPNJO-UHFFFAOYSA-N
Compound name
3-amino-1-(2,2-difluoroethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06047 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 131.1
[M+Na]+ 197.04969 140.5
[M-H]- 173.05319 130.9
[M+NH4]+ 192.09429 149.7
[M+K]+ 213.02363 137.9
[M+H-H2O]+ 157.05773 123.0
[M+HCOO]- 219.05867 152.7
[M+CH3COO]- 233.07432 181.9
[M+Na-2H]- 195.03514 135.8
[M]+ 174.05992 127.5
[M]- 174.06102 127.5
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.