CID 13290664

2-amino-1-(3-fluorophenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H8FNO
SMILES
C1=CC(=CC(=C1)F)C(=O)CN
InChI
InChI=1S/C8H8FNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H,5,10H2
InChIKey
ZAUWKVYEFLGNAY-UHFFFAOYSA-N
Compound name
2-amino-1-(3-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

153.05899 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.066266 128.5
[M+Na]+ 176.048208 136.5
[M-H]- 152.051714 130.7
[M+NH4]+ 171.092813 149.1
[M+K]+ 192.022148 134.3
[M+H-H2O]+ 136.056250 122.0
[M+HCOO]- 198.057191 152.2
[M+CH3COO]- 212.072841 178.2
[M+Na-2H]- 174.033656 133.9
[M]+ 153.05844142 125.6
[M]- 153.05953858 125.6
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