CID 12697038

2-(4-fluorophenyl)propan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 131.2
[M+Na]+ 176.084598 138.5
[M-H]- 152.088104 133.2
[M+NH4]+ 171.129203 152.0
[M+K]+ 192.058538 136.3
[M+H-H2O]+ 136.092640 124.7
[M+HCOO]- 198.093581 154.1
[M+CH3COO]- 212.109231 180.1
[M+Na-2H]- 174.070046 136.1
[M]+ 153.09483142 127.9
[M]- 153.09592858 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

No literature data available for this compound.

Patent stripe

patents stripe