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

44
Patents

177.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.066266 132.2
[M+Na]+ 200.048208 143.4
[M-H]- 176.051714 133.7
[M+NH4]+ 195.092813 152.1
[M+K]+ 216.022148 138.9
[M+H-H2O]+ 160.056250 125.4
[M+HCOO]- 222.057191 152.9
[M+CH3COO]- 236.072841 179.1
[M+Na-2H]- 198.033656 140.0
[M]+ 177.05844142 130.7
[M]- 177.05953858 130.7
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