CID 20644620

1-(4-fluorophenyl)-3-methylbutan-1-one

Structural Information

Molecular Formula
C11H13FO
SMILES
CC(C)CC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H13FO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
PYDJZEHLHFCHDA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

180.09505 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10233 140.1
[M+Na]+ 203.08427 152.0
[M+NH4]+ 198.12887 148.1
[M+K]+ 219.05821 145.6
[M-H]- 179.08777 140.8
[M+Na-2H]- 201.06972 146.0
[M]+ 180.09450 141.9
[M]- 180.09560 141.9
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

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