CID 10606953

3'-amino-4'-fluoroacetophenone

Structural Information

Molecular Formula
C8H8FNO
SMILES
CC(=O)C1=CC(=C(C=C1)F)N
InChI
InChI=1S/C8H8FNO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3
InChIKey
LUKSDHOQKVTGGT-UHFFFAOYSA-N
Compound name
1-(3-amino-4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

153.05899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 129.8
[M+Na]+ 176.04821 141.4
[M+NH4]+ 171.09281 137.7
[M+K]+ 192.02215 135.8
[M-H]- 152.05171 130.9
[M+Na-2H]- 174.03366 135.9
[M]+ 153.05844 131.5
[M]- 153.05954 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe