CID 20993438

3-(4-(4-fluorophenoxy)phenyl)propanoic acid

Structural Information

Molecular Formula
C15H13FO3
SMILES
C1=CC(=CC=C1CCC(=O)O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FO3/c16-12-4-8-14(9-5-12)19-13-6-1-11(2-7-13)3-10-15(17)18/h1-2,4-9H,3,10H2,(H,17,18)
InChIKey
YOSJHCORPKUCBH-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.08487 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09215 156.2
[M+Na]+ 283.07409 163.7
[M-H]- 259.07759 160.4
[M+NH4]+ 278.11869 172.0
[M+K]+ 299.04803 159.8
[M+H-H2O]+ 243.08213 147.9
[M+HCOO]- 305.08307 177.5
[M+CH3COO]- 319.09872 193.6
[M+Na-2H]- 281.05954 160.0
[M]+ 260.08432 156.4
[M]- 260.08542 156.4
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

patents stripe