CID 64316130

1-(2-fluorophenyl)pent-4-en-1-one

Structural Information

Molecular Formula
C11H11FO
SMILES
C=CCCC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C11H11FO/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h2,4-7H,1,3,8H2
InChIKey
PZSDQSFUJAZWKW-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)pent-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.07939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.086666 135.8
[M+Na]+ 201.068608 143.7
[M-H]- 177.072114 138.1
[M+NH4]+ 196.113213 156.0
[M+K]+ 217.042548 140.7
[M+H-H2O]+ 161.076650 129.3
[M+HCOO]- 223.077591 158.3
[M+CH3COO]- 237.093241 182.3
[M+Na-2H]- 199.054056 140.5
[M]+ 178.07884142 135.1
[M]- 178.07993858 135.1
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