CID 68498

1-(4-fluorophenyl)butan-1-one

Structural Information

Molecular Formula
C10H11FO
SMILES
CCCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChIKey
QHDXPJMOWRLLRV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

332
Patents

166.07939 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08667 135.4
[M+Na]+ 189.06861 147.9
[M+NH4]+ 184.11321 143.7
[M+K]+ 205.04255 141.0
[M-H]- 165.07211 136.4
[M+Na-2H]- 187.05406 142.0
[M]+ 166.07884 137.4
[M]- 166.07994 137.4
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