CID 13290673

1-amino-3-(4-fluorophenyl)propan-2-one hydrochloride

Structural Information

Molecular Formula
C9H10FNO
SMILES
C1=CC(=CC=C1CC(=O)CN)F
InChI
InChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4H,5-6,11H2
InChIKey
RTZAPTCNAINKNG-UHFFFAOYSA-N
Compound name
1-amino-3-(4-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

167.07465 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 133.2
[M+Na]+ 190.063868 140.7
[M-H]- 166.067374 135.2
[M+NH4]+ 185.108473 153.2
[M+K]+ 206.037808 138.3
[M+H-H2O]+ 150.071910 126.5
[M+HCOO]- 212.072851 156.5
[M+CH3COO]- 226.088501 181.3
[M+Na-2H]- 188.049316 138.1
[M]+ 167.07410142 130.6
[M]- 167.07519858 130.6
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