CID 18923

4-phenylpyrimidine

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

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

InChI

InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H

InChIKey

MKLQPIYLZMLAER-UHFFFAOYSA-N

Compound name

4-phenylpyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 1852
Patents: 156.06874 Da
Monoisotopic Mass: 1.9
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]+	157.076016	130.2
[M+Na]+	179.057958	138.7
[M-H]-	155.061464	134.2
[M+NH4]+	174.102563	148.1
[M+K]+	195.031898	135.3
[M+H-H2O]+	139.066000	121.9
[M+HCOO]-	201.066941	153.3
[M+CH3COO]-	215.082591	143.8
[M+Na-2H]-	177.043406	140.8
[M]+	156.06819142	128.9
[M]-	156.06928858	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe