CID 161852

3-(4-hydroxyphenoxy)benzoic acid

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H10O4/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8,14H,(H,15,16)
InChIKey
OSGCDVKVZWMYBG-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

117
Patents

230.0579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 148.8
[M+Na]+ 253.04712 162.4
[M+NH4]+ 248.09172 156.2
[M+K]+ 269.02106 156.7
[M-H]- 229.05062 151.6
[M+Na-2H]- 251.03257 156.9
[M]+ 230.05735 151.4
[M]- 230.05845 151.4
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