CID 17997050

6,7,8-trifluoro-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C9H4F3NO
SMILES
C1=CNC2=C(C(=C(C=C2C1=O)F)F)F
InChI
InChI=1S/C9H4F3NO/c10-5-3-4-6(14)1-2-13-9(4)8(12)7(5)11/h1-3H,(H,13,14)
InChIKey
KEOLWQHYWNESLY-UHFFFAOYSA-N
Compound name
6,7,8-trifluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

199.0245 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.031776 133.2
[M+Na]+ 222.013718 145.9
[M-H]- 198.017224 132.4
[M+NH4]+ 217.058323 152.3
[M+K]+ 237.987658 140.6
[M+H-H2O]+ 182.021760 124.7
[M+HCOO]- 244.022701 152.0
[M+CH3COO]- 258.038351 182.9
[M+Na-2H]- 219.999166 139.6
[M]+ 199.02395142 129.5
[M]- 199.02504858 129.5
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