CID 15249405

4-fluoronaphthalen-1-amine

Structural Information

Molecular Formula
C10H8FN
SMILES
C1=CC=C2C(=C1)C(=CC=C2F)N
InChI
InChI=1S/C10H8FN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey
OHGQJGPCYSDTGN-UHFFFAOYSA-N
Compound name
4-fluoronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

161.06407 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07135 128.8
[M+Na]+ 184.05329 138.5
[M-H]- 160.05679 132.3
[M+NH4]+ 179.09789 150.6
[M+K]+ 200.02723 134.6
[M+H-H2O]+ 144.06133 122.4
[M+HCOO]- 206.06227 152.4
[M+CH3COO]- 220.07792 143.0
[M+Na-2H]- 182.03874 137.2
[M]+ 161.06352 125.9
[M]- 161.06462 125.9
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