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]+ 196.11322 143.4
[M+Na]+ 218.09516 154.4
[M+NH4]+ 213.13976 150.8
[M+K]+ 234.06910 148.1
[M-H]- 194.09866 144.3
[M+Na-2H]- 216.08061 148.6
[M]+ 195.10539 145.0
[M]- 195.10649 145.0
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.