CID 28414444

1-[4-(cyclohexyloxy)-3-fluorophenyl]ethan-1-one

Structural Information

Molecular Formula
C14H17FO2
SMILES
CC(=O)C1=CC(=C(C=C1)OC2CCCCC2)F
InChI
InChI=1S/C14H17FO2/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3
InChIKey
PASDIJZXLAUSCP-UHFFFAOYSA-N
Compound name
1-(4-cyclohexyloxy-3-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12126 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12854 152.3
[M+Na]+ 259.11048 157.7
[M-H]- 235.11398 157.0
[M+NH4]+ 254.15508 169.7
[M+K]+ 275.08442 155.0
[M+H-H2O]+ 219.11852 144.3
[M+HCOO]- 281.11946 171.0
[M+CH3COO]- 295.13511 192.1
[M+Na-2H]- 257.09593 154.2
[M]+ 236.12071 148.3
[M]- 236.12181 148.3
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

No patent data available for this compound.