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

130
Patents

167.07465 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 133.2
[M+Na]+ 190.06387 140.7
[M-H]- 166.06737 135.2
[M+NH4]+ 185.10847 153.2
[M+K]+ 206.03781 138.3
[M+H-H2O]+ 150.07191 126.5
[M+HCOO]- 212.07285 156.5
[M+CH3COO]- 226.08850 181.3
[M+Na-2H]- 188.04932 138.1
[M]+ 167.07410 130.6
[M]- 167.07520 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