CID 80473545

2-amino-1-(2,4-difluorophenyl)propan-1-one hydrochloride

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 135.7
[M+Na]+ 208.05444 144.0
[M-H]- 184.05794 136.8
[M+NH4]+ 203.09904 155.2
[M+K]+ 224.02838 141.7
[M+H-H2O]+ 168.06248 128.3
[M+HCOO]- 230.06342 156.9
[M+CH3COO]- 244.07907 186.1
[M+Na-2H]- 206.03989 138.0
[M]+ 185.06467 131.7
[M]- 185.06577 131.7
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.