CID 22573442

4-(3-fluorophenoxy)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

232.05357 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

patents stripe