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 147.2
[M+Na]+ 249.08099 155.2
[M-H]- 225.08449 147.1
[M+NH4]+ 244.12559 164.7
[M+K]+ 265.05493 151.3
[M+H-H2O]+ 209.08903 138.5
[M+HCOO]- 271.08997 164.4
[M+CH3COO]- 285.10562 193.3
[M+Na-2H]- 247.06644 150.3
[M]+ 226.09122 141.5
[M]- 226.09232 141.5
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

patents stripe