CID 161852

35065-12-4

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
4
Annotation Hits

2
References

108
Patents

230.0579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.065176 147.3
[M+Na]+ 253.047118 155.1
[M-H]- 229.050624 152.0
[M+NH4]+ 248.091723 163.7
[M+K]+ 269.021058 152.0
[M+H-H2O]+ 213.055160 140.6
[M+HCOO]- 275.056101 169.1
[M+CH3COO]- 289.071751 184.6
[M+Na-2H]- 251.032566 152.5
[M]+ 230.05735142 147.6
[M]- 230.05844858 147.6
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