CID 60798809

1-(4-fluorophenyl)-2-(oxolan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CC(OC1)CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2
InChIKey
IUXVHIIWQCKBKI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08995 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 144.1
[M+Na]+ 231.07917 150.5
[M-H]- 207.08267 149.8
[M+NH4]+ 226.12377 163.1
[M+K]+ 247.05311 149.1
[M+H-H2O]+ 191.08721 137.1
[M+HCOO]- 253.08815 164.8
[M+CH3COO]- 267.10380 184.4
[M+Na-2H]- 229.06462 147.1
[M]+ 208.08940 141.8
[M]- 208.09050 141.8
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

No patent data available for this compound.