CID 533928

2-(3-fluorophenyl)ethanamine

Structural Information

Molecular Formula
C8H10FN
SMILES
C1=CC(=CC(=C1)F)CCN
InChI
InChI=1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey
AUCVZEYHEFAWHO-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2026
Patents

139.07973 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.087006 125.9
[M+Na]+ 162.068948 133.9
[M-H]- 138.072454 128.0
[M+NH4]+ 157.113553 147.3
[M+K]+ 178.042888 131.4
[M+H-H2O]+ 122.076990 119.6
[M+HCOO]- 184.077931 150.2
[M+CH3COO]- 198.093581 176.3
[M+Na-2H]- 160.054396 132.7
[M]+ 139.07918142 122.9
[M]- 139.08027858 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