CID 12582972

6-phenylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₈N₂O₂

SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)C(=O)O

InChI

InChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)

InChIKey

WPZVBDSJGHLIMS-UHFFFAOYSA-N

Compound name

6-phenylpyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 119
Patents: 200.05858 Da
Monoisotopic Mass: 1.7
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]+	201.06586	141.9
[M+Na]+	223.04780	156.6
[M+NH4]+	218.09240	149.5
[M+K]+	239.02174	150.3
[M-H]-	199.05130	144.5
[M+Na-2H]-	221.03325	151.3
[M]+	200.05803	144.7
[M]-	200.05913	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe