CID 23380946

124623-26-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

153.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06627 128.0
[M+Na]+ 176.04821 136.9
[M-H]- 152.05171 130.6
[M+NH4]+ 171.09281 148.9
[M+K]+ 192.02215 134.8
[M+H-H2O]+ 136.05625 121.8
[M+HCOO]- 198.05719 151.7
[M+CH3COO]- 212.07284 179.4
[M+Na-2H]- 174.03366 132.7
[M]+ 153.05844 125.5
[M]- 153.05954 125.5
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