CID 24843907

Propiophenone, 4'-fluoro-3-(phenethylamino)-, hydrochloride

Structural Information

Molecular Formula
C17H18FNO
SMILES
C1=CC=C(C=C1)CCNCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H18FNO/c18-16-8-6-15(7-9-16)17(20)11-13-19-12-10-14-4-2-1-3-5-14/h1-9,19H,10-13H2
InChIKey
PIFWOFOOHKLHLM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(2-phenylethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14452 162.9
[M+Na]+ 294.12646 168.3
[M-H]- 270.12996 167.6
[M+NH4]+ 289.17106 178.4
[M+K]+ 310.10040 163.5
[M+H-H2O]+ 254.13450 153.8
[M+HCOO]- 316.13544 185.6
[M+CH3COO]- 330.15109 201.7
[M+Na-2H]- 292.11191 167.1
[M]+ 271.13669 161.7
[M]- 271.13779 161.7
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.