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 132.7
[M+Na]+ 190.06387 141.2
[M-H]- 166.06737 135.1
[M+NH4]+ 185.10847 153.1
[M+K]+ 206.03781 138.9
[M+H-H2O]+ 150.07191 126.3
[M+HCOO]- 212.07285 156.0
[M+CH3COO]- 226.08850 182.4
[M+Na-2H]- 188.04932 136.9
[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