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

2
Patents

178.07939 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 135.9
[M+Na]+ 201.06861 143.7
[M-H]- 177.07211 138.4
[M+NH4]+ 196.11321 156.1
[M+K]+ 217.04255 141.1
[M+H-H2O]+ 161.07665 129.6
[M+HCOO]- 223.07759 157.5
[M+CH3COO]- 237.09324 182.5
[M+Na-2H]- 199.05406 139.5
[M]+ 178.07884 134.5
[M]- 178.07994 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