CID 157032

4-fluoro-3-phenoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

16
References

64
Patents

232.05357 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06085 146.7
[M+Na]+ 255.04279 155.1
[M-H]- 231.04629 151.4
[M+NH4]+ 250.08739 163.7
[M+K]+ 271.01673 151.8
[M+H-H2O]+ 215.05083 138.9
[M+HCOO]- 277.05177 168.8
[M+CH3COO]- 291.06742 187.6
[M+Na-2H]- 253.02824 151.7
[M]+ 232.05302 146.3
[M]- 232.05412 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

literature stripe

Patent stripe

patents stripe