CID 2781125

1-(5-amino-2-fluorophenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

153.05899 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe