CID 2756678

24351-56-2

Structural Information

Molecular Formula

C₁₄H₁₀O₄

SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C14H10O4/c15-14(16)11-3-1-2-9(6-11)10-4-5-12-13(7-10)18-8-17-12/h1-7H,8H2,(H,15,16)

InChIKey

KMYXCUZMLVHANR-UHFFFAOYSA-N

Compound name

3-(1,3-benzodioxol-5-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 242.0579 Da
Monoisotopic Mass: 2.9
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]+	243.06518	150.1
[M+Na]+	265.04712	163.9
[M+NH4]+	260.09172	158.5
[M+K]+	281.02106	160.3
[M-H]-	241.05062	156.1
[M+Na-2H]-	263.03257	156.2
[M]+	242.05735	153.8
[M]-	242.05845	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.