CID 2774496

7-fluoro-4-quinolinol

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC2=C(C=C1F)NC=CC2=O
InChI
InChI=1S/C9H6FNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey
ZLHGUGJJHJJVHV-UHFFFAOYSA-N
Compound name
7-fluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

177
Patents

163.04333 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.050606 127.6
[M+Na]+ 186.032548 138.3
[M-H]- 162.036054 128.9
[M+NH4]+ 181.077153 147.7
[M+K]+ 202.006488 134.0
[M+H-H2O]+ 146.040590 120.7
[M+HCOO]- 208.041531 148.7
[M+CH3COO]- 222.057181 141.5
[M+Na-2H]- 184.017996 136.7
[M]+ 163.04278142 125.4
[M]- 163.04387858 125.4
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