CID 75182

4-phenoxybenzoic acid

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
InChIKey
RYAQFHLUEMJOMF-UHFFFAOYSA-N
Compound name
4-phenoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

2596
Patents

214.06299 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 144.2
[M+Na]+ 237.05221 151.7
[M-H]- 213.05571 149.9
[M+NH4]+ 232.09681 161.7
[M+K]+ 253.02615 148.7
[M+H-H2O]+ 197.06025 137.3
[M+HCOO]- 259.06119 167.3
[M+CH3COO]- 273.07684 183.7
[M+Na-2H]- 235.03766 150.5
[M]+ 214.06244 144.5
[M]- 214.06354 144.5
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