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

8
Patents

226.09177 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.099046 147.2
[M+Na]+ 249.080988 155.2
[M-H]- 225.084494 147.1
[M+NH4]+ 244.125593 164.7
[M+K]+ 265.054928 151.3
[M+H-H2O]+ 209.089030 138.5
[M+HCOO]- 271.089971 164.4
[M+CH3COO]- 285.105621 193.3
[M+Na-2H]- 247.066436 150.3
[M]+ 226.09122142 141.5
[M]- 226.09231858 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