CID 14195239

1-(2-amino-4-fluorophenyl)ethan-1-one hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

153.05899 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe