CID 254809

4-(3-fluorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H11FO
SMILES
CC(=O)CCC1=CC(=CC=C1)F
InChI
InChI=1S/C10H11FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,5-6H2,1H3
InChIKey
IZNPPMHOPRAECP-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

166.07939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 132.5
[M+Na]+ 189.06861 140.6
[M-H]- 165.07211 135.0
[M+NH4]+ 184.11321 153.3
[M+K]+ 205.04255 138.5
[M+H-H2O]+ 149.07665 126.2
[M+HCOO]- 211.07759 155.2
[M+CH3COO]- 225.09324 180.2
[M+Na-2H]- 187.05406 137.8
[M]+ 166.07884 132.2
[M]- 166.07994 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe