CID 13290662

2-fluorophenacylamine hydrochloride

Structural Information

Molecular Formula
C8H8FNO
SMILES
C1=CC=C(C(=C1)C(=O)CN)F
InChI
InChI=1S/C8H8FNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H,5,10H2
InChIKey
KXAXANGVOLTRLC-UHFFFAOYSA-N
Compound name
2-amino-1-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

153.05899 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 128.5
[M+Na]+ 176.04821 136.5
[M-H]- 152.05171 130.7
[M+NH4]+ 171.09281 149.1
[M+K]+ 192.02215 134.3
[M+H-H2O]+ 136.05625 122.0
[M+HCOO]- 198.05719 152.2
[M+CH3COO]- 212.07284 178.2
[M+Na-2H]- 174.03366 133.9
[M]+ 153.05844 125.6
[M]- 153.05954 125.6
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