CID 5005163

4-(4-fluorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H9FO3
SMILES
C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C13H9FO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChIKey
YYKALFXKRWCSLY-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

127
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

literature stripe

Patent stripe

patents stripe