CID 76974173

4-fluoroephedrine

Structural Information

Molecular Formula
C10H14FNO
SMILES
CC(C(C1=CC=C(C=C1)F)O)NC
InChI
InChI=1S/C10H14FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,10,12-13H,1-2H3
InChIKey
SPEQHEOLWDGWML-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10594 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.113216 139.5
[M+Na]+ 206.095158 145.7
[M-H]- 182.098664 140.5
[M+NH4]+ 201.139763 158.5
[M+K]+ 222.069098 143.6
[M+H-H2O]+ 166.103200 132.9
[M+HCOO]- 228.104141 160.4
[M+CH3COO]- 242.119791 184.1
[M+Na-2H]- 204.080606 143.1
[M]+ 183.10539142 136.5
[M]- 183.10648858 136.5
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

No patent data available for this compound.