CID 39877

4',5-dimethoxy-3-biphenylacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

272.10486 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe