CID 1307667

4'-methoxy-biphenyl-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

228.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.4
[M+Na]+ 251.067858 156.3
[M-H]- 227.071364 154.3
[M+NH4]+ 246.112463 165.7
[M+K]+ 267.041798 153.2
[M+H-H2O]+ 211.075900 141.5
[M+HCOO]- 273.076841 171.2
[M+CH3COO]- 287.092491 187.9
[M+Na-2H]- 249.053306 153.5
[M]+ 228.07809142 149.4
[M]- 228.07918858 149.4
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