CID 366012

3',4'-dimethoxy-biphenyl-4-acetic acid

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)OC
InChI
InChI=1S/C16H16O4/c1-19-14-8-7-13(10-15(14)20-2)12-5-3-11(4-6-12)9-16(17)18/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKey
PIQKLJNBCIDWGY-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

272.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.4
[M+Na]+ 295.09408 168.1
[M-H]- 271.09758 166.2
[M+NH4]+ 290.13868 176.0
[M+K]+ 311.06802 165.3
[M+H-H2O]+ 255.10212 152.9
[M+HCOO]- 317.10306 182.6
[M+CH3COO]- 331.11871 197.2
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 163.9
[M]- 272.10541 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.