CID 12918673

6-fluoroquinolin-5-amine

Structural Information

Molecular Formula
C9H7FN2
SMILES
C1=CC2=C(C=CC(=C2N)F)N=C1
InChI
InChI=1S/C9H7FN2/c10-7-3-4-8-6(9(7)11)2-1-5-12-8/h1-5H,11H2
InChIKey
LVTQDABLIKHWLW-UHFFFAOYSA-N
Compound name
6-fluoroquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

162.05933 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe