CID 121501

3-fluoroamphetamine

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(CC1=CC(=CC=C1)F)N
InChI
InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
InChIKey
PIOCLGPCMNPZFT-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
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 131.2
[M+Na]+ 176.08460 138.5
[M-H]- 152.08810 133.2
[M+NH4]+ 171.12920 152.0
[M+K]+ 192.05854 136.3
[M+H-H2O]+ 136.09264 124.7
[M+HCOO]- 198.09358 154.1
[M+CH3COO]- 212.10923 180.1
[M+Na-2H]- 174.07005 136.1
[M]+ 153.09483 127.9
[M]- 153.09593 127.9
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