CID 2763568

855423-33-5

Structural Information

Molecular Formula

C₁₁H₈N₂O₃

SMILES

C1=CN=C(N=C1)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H8N2O3/c14-10(15)8-2-4-9(5-3-8)16-11-12-6-1-7-13-11/h1-7H,(H,14,15)

InChIKey

UCMUIXMNKTUUEV-UHFFFAOYSA-N

Compound name

4-pyrimidin-2-yloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 216.0535 Da
Monoisotopic Mass: 1.6
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]+	217.06078	145.1
[M+Na]+	239.04272	159.3
[M+NH4]+	234.08732	152.0
[M+K]+	255.01666	153.5
[M-H]-	215.04622	147.1
[M+Na-2H]-	237.02817	154.0
[M]+	216.05295	147.5
[M]-	216.05405	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe