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]+ 213.09215 144.1
[M+Na]+ 235.07409 151.6
[M-H]- 211.07759 146.3
[M+NH4]+ 230.11869 162.9
[M+K]+ 251.04803 150.3
[M+H-H2O]+ 195.08213 137.0
[M+HCOO]- 257.08307 166.8
[M+CH3COO]- 271.09872 186.5
[M+Na-2H]- 233.05954 148.7
[M]+ 212.08432 146.9
[M]- 212.08542 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.