CID 132372584

1-(5-amino-2-fluorophenyl)pentan-1-one

Structural Information

Molecular Formula
C11H14FNO
SMILES
CCCCC(=O)C1=C(C=CC(=C1)N)F
InChI
InChI=1S/C11H14FNO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7H,2-4,13H2,1H3
InChIKey
NYRWWPMBZBVVPA-UHFFFAOYSA-N
Compound name
1-(5-amino-2-fluorophenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10594 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 142.1
[M+Na]+ 218.095158 149.8
[M-H]- 194.098664 144.1
[M+NH4]+ 213.139763 161.4
[M+K]+ 234.069098 146.9
[M+H-H2O]+ 178.103200 135.3
[M+HCOO]- 240.104141 164.8
[M+CH3COO]- 254.119791 188.5
[M+Na-2H]- 216.080606 145.2
[M]+ 195.10539142 140.7
[M]- 195.10648858 140.7
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.