CID 118830353

1-(5-amino-2-fluorophenyl)propan-1-one

Structural Information

Molecular Formula
C9H10FNO
SMILES
CCC(=O)C1=C(C=CC(=C1)N)F
InChI
InChI=1S/C9H10FNO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2,11H2,1H3
InChIKey
JLRBLAMOPOFYHA-UHFFFAOYSA-N
Compound name
1-(5-amino-2-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

167.07465 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.081926 132.7
[M+Na]+ 190.063868 141.2
[M-H]- 166.067374 135.1
[M+NH4]+ 185.108473 153.1
[M+K]+ 206.037808 138.9
[M+H-H2O]+ 150.071910 126.3
[M+HCOO]- 212.072851 156.0
[M+CH3COO]- 226.088501 182.4
[M+Na-2H]- 188.049316 136.9
[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