CID 6483796

3-(4-fluorophenyl)propan-1-amine

Structural Information

Molecular Formula
C9H12FN
SMILES
C1=CC(=CC=C1CCCN)F
InChI
InChI=1S/C9H12FN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
InChIKey
IIFDQESZTDBKEM-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

274
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 131.4
[M+Na]+ 176.08460 143.2
[M+NH4]+ 171.12920 140.1
[M+K]+ 192.05854 136.0
[M-H]- 152.08810 133.4
[M+Na-2H]- 174.07005 138.4
[M]+ 153.09483 133.5
[M]- 153.09593 133.5
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