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

294
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 130.6
[M+Na]+ 176.08460 138.1
[M-H]- 152.08810 132.5
[M+NH4]+ 171.12920 151.4
[M+K]+ 192.05854 135.4
[M+H-H2O]+ 136.09264 124.0
[M+HCOO]- 198.09358 154.5
[M+CH3COO]- 212.10923 179.3
[M+Na-2H]- 174.07005 136.8
[M]+ 153.09483 128.0
[M]- 153.09593 128.0
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