CID 123063

1-(4-fluorophenyl)ethylamine

Structural Information

Molecular Formula
C8H10FN
SMILES
CC(C1=CC=C(C=C1)F)N
InChI
InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
InChIKey
QGCLEUGNYRXBMZ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2498
Patents

139.07973 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08701 126.5
[M+Na]+ 162.06895 134.2
[M-H]- 138.07245 128.7
[M+NH4]+ 157.11355 147.8
[M+K]+ 178.04289 132.2
[M+H-H2O]+ 122.07699 120.2
[M+HCOO]- 184.07793 149.8
[M+CH3COO]- 198.09358 177.1
[M+Na-2H]- 160.05440 132.0
[M]+ 139.07918 122.9
[M]- 139.08028 122.9
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