CID 85184

6-fluoro-2-methylquinolin-4-ol

Structural Information

Molecular Formula
C10H8FNO
SMILES
CC1=CC(=O)C2=C(N1)C=CC(=C2)F
InChI
InChI=1S/C10H8FNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
InChIKey
BKXCHVFCJZJATJ-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

38
Patents

177.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06627 134.3
[M+Na]+ 200.04821 149.0
[M+NH4]+ 195.09281 142.9
[M+K]+ 216.02215 141.7
[M-H]- 176.05171 135.4
[M+Na-2H]- 198.03366 141.3
[M]+ 177.05844 136.7
[M]- 177.05954 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe