CID 136229134

3-fluoroquinolin-5-ol

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC2=C(C=C(C=N2)F)C(=C1)O
InChI
InChI=1S/C9H6FNO/c10-6-4-7-8(11-5-6)2-1-3-9(7)12/h1-5,12H
InChIKey
LYPUHYGYYPHSOX-UHFFFAOYSA-N
Compound name
3-fluoroquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

163.04333 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.050606 128.4
[M+Na]+ 186.032548 138.9
[M-H]- 162.036054 129.7
[M+NH4]+ 181.077153 148.6
[M+K]+ 202.006488 135.2
[M+H-H2O]+ 146.040590 121.5
[M+HCOO]- 208.041531 149.3
[M+CH3COO]- 222.057181 142.3
[M+Na-2H]- 184.017996 137.6
[M]+ 163.04278142 126.9
[M]- 163.04387858 126.9
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