CID 50987612

5,8-difluoro-2,3-dimethyl-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C11H9F2NO
SMILES
CC1=C(NC2=C(C=CC(=C2C1=O)F)F)C
InChI
InChI=1S/C11H9F2NO/c1-5-6(2)14-10-8(13)4-3-7(12)9(10)11(5)15/h3-4H,1-2H3,(H,14,15)
InChIKey
YWABXIOQUMMYFY-UHFFFAOYSA-N
Compound name
5,8-difluoro-2,3-dimethyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07250 139.5
[M+Na]+ 232.05444 152.2
[M-H]- 208.05794 140.2
[M+NH4]+ 227.09904 158.7
[M+K]+ 248.02838 147.0
[M+H-H2O]+ 192.06248 132.0
[M+HCOO]- 254.06342 158.7
[M+CH3COO]- 268.07907 187.4
[M+Na-2H]- 230.03989 144.7
[M]+ 209.06467 138.1
[M]- 209.06577 138.1
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.