CID 5210548

[1-(4-fluorophenyl)ethyl](methyl)amine

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(C1=CC=C(C=C1)F)NC
InChI
InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3
InChIKey
YORRIBKELCOOIJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

153.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 130.6
[M+Na]+ 176.084598 137.9
[M-H]- 152.088104 133.1
[M+NH4]+ 171.129203 151.6
[M+K]+ 192.058538 136.0
[M+H-H2O]+ 136.092640 124.1
[M+HCOO]- 198.093581 154.1
[M+CH3COO]- 212.109231 180.8
[M+Na-2H]- 174.070046 136.6
[M]+ 153.09483142 128.3
[M]- 153.09592858 128.3
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