CID 18548569

3-(pyridin-4-yloxy)benzoic acid hydrochloride

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC(=CC(=C1)OC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C12H9NO3/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10/h1-8H,(H,14,15)

InChIKey

HZLZWEINMPPFFX-UHFFFAOYSA-N

Compound name

3-pyridin-4-yloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 215.05824 Da
Monoisotopic Mass: 2.5
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]+	216.06552	145.3
[M+Na]+	238.04746	159.5
[M+NH4]+	233.09206	153.0
[M+K]+	254.02140	153.3
[M-H]-	214.05096	148.2
[M+Na-2H]-	236.03291	154.5
[M]+	215.05769	148.1
[M]-	215.05879	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe