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]+ 237.128536 152.3
[M+Na]+ 259.110478 157.7
[M-H]- 235.113984 157.0
[M+NH4]+ 254.155083 169.7
[M+K]+ 275.084418 155.0
[M+H-H2O]+ 219.118520 144.3
[M+HCOO]- 281.119461 171.0
[M+CH3COO]- 295.135111 192.1
[M+Na-2H]- 257.095926 154.2
[M]+ 236.12071142 148.3
[M]- 236.12180858 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.