CID 13466508

1-(4-fluorophenyl)-3-methylbut-2-en-1-one

Structural Information

Molecular Formula
C11H11FO
SMILES
CC(=CC(=O)C1=CC=C(C=C1)F)C
InChI
InChI=1S/C11H11FO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChIKey
FFMUQNCYEDRADF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.07939 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.086666 135.9
[M+Na]+ 201.068608 143.7
[M-H]- 177.072114 138.4
[M+NH4]+ 196.113213 156.1
[M+K]+ 217.042548 141.1
[M+H-H2O]+ 161.076650 129.6
[M+HCOO]- 223.077591 157.5
[M+CH3COO]- 237.093241 182.5
[M+Na-2H]- 199.054056 139.5
[M]+ 178.07884142 134.5
[M]- 178.07993858 134.5
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