CID 2759552

725-14-4

Structural Information

Molecular Formula
C14H12O3
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H12O3/c1-17-13-8-6-11(7-9-13)10-2-4-12(5-3-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
FDPKGXQCDURRBM-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

406
Patents

228.07864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 149.6
[M+Na]+ 251.06786 164.1
[M+NH4]+ 246.11246 157.8
[M+K]+ 267.04180 157.3
[M-H]- 227.07136 153.4
[M+Na-2H]- 249.05331 158.5
[M]+ 228.07809 152.7
[M]- 228.07919 152.7
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