CID 20235

2-fluoroethyl (4-methoxyphenyl)acetate

Structural Information

Molecular Formula
C11H13FO3
SMILES
COC1=CC=C(C=C1)CC(=O)OCCF
InChI
InChI=1S/C11H13FO3/c1-14-10-4-2-9(3-5-10)8-11(13)15-7-6-12/h2-5H,6-8H2,1H3
InChIKey
UAAWUFLHOXJOAS-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.08487 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.092146 144.1
[M+Na]+ 235.074088 151.6
[M-H]- 211.077594 146.3
[M+NH4]+ 230.118693 162.9
[M+K]+ 251.048028 150.3
[M+H-H2O]+ 195.082130 137.0
[M+HCOO]- 257.083071 166.8
[M+CH3COO]- 271.098721 186.5
[M+Na-2H]- 233.059536 148.7
[M]+ 212.08432142 146.9
[M]- 212.08541858 146.9
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.