CID 39236130

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.07465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08193 134.3
[M+Na]+ 190.06387 145.7
[M+NH4]+ 185.10847 142.1
[M+K]+ 206.03781 139.9
[M-H]- 166.06737 135.4
[M+Na-2H]- 188.04932 140.1
[M]+ 167.07410 136.0
[M]- 167.07520 136.0
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