CID 80473545

2243521-41-5

Structural Information

Molecular Formula
C9H9F2NO
SMILES
CC(C(=O)C1=C(C=C(C=C1)F)F)N
InChI
InChI=1S/C9H9F2NO/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5H,12H2,1H3
InChIKey
RIYPWWKLGKYLSG-UHFFFAOYSA-N
Compound name
2-amino-1-(2,4-difluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 139.0
[M+Na]+ 208.05444 148.8
[M+NH4]+ 203.09904 145.6
[M+K]+ 224.02838 144.0
[M-H]- 184.05794 138.2
[M+Na-2H]- 206.03989 143.5
[M]+ 185.06467 139.8
[M]- 185.06577 139.8
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.