CID 117302933

3-(4-ethoxy-2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C11H13FO3
SMILES
CCOC1=CC(=C(C=C1)CCC(=O)O)F
InChI
InChI=1S/C11H13FO3/c1-2-15-9-5-3-8(10(12)7-9)4-6-11(13)14/h3,5,7H,2,4,6H2,1H3,(H,13,14)
InChIKey
WOQQONDRBPSVLD-UHFFFAOYSA-N
Compound name
3-(4-ethoxy-2-fluorophenyl)propanoic acid
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 143.7
[M+Na]+ 235.07409 151.7
[M-H]- 211.07759 144.9
[M+NH4]+ 230.11869 162.0
[M+K]+ 251.04803 149.4
[M+H-H2O]+ 195.08213 137.1
[M+HCOO]- 257.08307 164.9
[M+CH3COO]- 271.09872 185.8
[M+Na-2H]- 233.05954 147.2
[M]+ 212.08432 145.1
[M]- 212.08542 145.1
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.