CID 2758408

108474-22-2

Structural Information

Molecular Formula

C₁₅H₁₄O₄

SMILES

COC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C15H14O4/c1-18-12-7-8-13(14(9-12)19-2)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3,(H,16,17)

InChIKey

XVVFNXGUNVVYOR-UHFFFAOYSA-N

Compound name

4-(2,4-dimethoxyphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.0892 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.096476	155.7
[M+Na]+	281.078418	163.9
[M-H]-	257.081924	161.7
[M+NH4]+	276.123023	171.9
[M+K]+	297.052358	161.3
[M+H-H2O]+	241.086460	148.4
[M+HCOO]-	303.087401	178.3
[M+CH3COO]-	317.103051	194.3
[M+Na-2H]-	279.063866	159.5
[M]+	258.08865142	158.9
[M]-	258.08974858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe