CID 121531

2-fluoroamphetamine

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(CC1=CC=CC=C1F)N
InChI
InChI=1S/C9H12FN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKey
GDSXNLDTQFFIEU-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

110
Patents

153.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 131.9
[M+Na]+ 176.08460 143.3
[M+NH4]+ 171.12920 140.5
[M+K]+ 192.05854 136.9
[M-H]- 152.08810 133.7
[M+Na-2H]- 174.07005 138.5
[M]+ 153.09483 133.9
[M]- 153.09593 133.9
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