CID 77358

3753-05-7

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

C1=CC(=CC=C1C(=O)O)OCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)

InChIKey

VAXBLYWAVAIJJJ-UHFFFAOYSA-N

Compound name

4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2355
Patents: 302.07904 Da
Monoisotopic Mass: 2.6
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]+	303.08632	166.9
[M+Na]+	325.06826	178.6
[M+NH4]+	320.11286	172.2
[M+K]+	341.04220	174.1
[M-H]-	301.07176	168.1
[M+Na-2H]-	323.05371	172.8
[M]+	302.07849	168.6
[M]-	302.07959	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe