CID 17028180

4-amino-6-fluoroquinoline

Structural Information

Molecular Formula
C9H7FN2
SMILES
C1=CC2=NC=CC(=C2C=C1F)N
InChI
InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKey
HDANYIGFTBVIBA-UHFFFAOYSA-N
Compound name
6-fluoroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

162.05933 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.066606 129.2
[M+Na]+ 185.048548 139.3
[M-H]- 161.052054 131.3
[M+NH4]+ 180.093153 149.6
[M+K]+ 201.022488 135.5
[M+H-H2O]+ 145.056590 121.9
[M+HCOO]- 207.057531 151.8
[M+CH3COO]- 221.073181 143.0
[M+Na-2H]- 183.033996 138.2
[M]+ 162.05878142 126.4
[M]- 162.05987858 126.4
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