CID 60922791

6-amino-1-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C11H12F2N2O
SMILES
C1CC(=O)N(C2=C1C=C(C=C2)N)CC(F)F
InChI
InChI=1S/C11H12F2N2O/c12-10(13)6-15-9-3-2-8(14)5-7(9)1-4-11(15)16/h2-3,5,10H,1,4,6,14H2
InChIKey
DAIDXOQCCJTAAG-UHFFFAOYSA-N
Compound name
6-amino-1-(2,2-difluoroethyl)-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.09177 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09905 148.3
[M+Na]+ 249.08099 158.1
[M+NH4]+ 244.12559 155.0
[M+K]+ 265.05493 152.4
[M-H]- 225.08449 147.5
[M+Na-2H]- 247.06644 151.6
[M]+ 226.09122 149.0
[M]- 226.09232 149.0
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

patents stripe