CID 63941297

3-(3-fluorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H9FO3
SMILES
C1=CC(=CC(=C1)OC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C13H9FO3/c14-10-4-2-6-12(8-10)17-11-5-1-3-9(7-11)13(15)16/h1-8H,(H,15,16)
InChIKey
GYIPEQMXZPGDQF-UHFFFAOYSA-N
Compound name
3-(3-fluorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.05357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.060846 146.7
[M+Na]+ 255.042788 155.1
[M-H]- 231.046294 151.4
[M+NH4]+ 250.087393 163.7
[M+K]+ 271.016728 151.8
[M+H-H2O]+ 215.050830 138.9
[M+HCOO]- 277.051771 168.8
[M+CH3COO]- 291.067421 187.6
[M+Na-2H]- 253.028236 151.7
[M]+ 232.05302142 146.3
[M]- 232.05411858 146.3
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