CID 10825702

2,4-dichloro-6-phenyl-5-(propan-2-yl)pyrimidine

Structural Information

Molecular Formula

C₁₃H₁₂Cl₂N₂

SMILES

CC(C)C1=C(N=C(N=C1Cl)Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H12Cl2N2/c1-8(2)10-11(9-6-4-3-5-7-9)16-13(15)17-12(10)14/h3-8H,1-2H3

InChIKey

FCOCUALCRMCFNK-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.03775 Da
Monoisotopic Mass: 4.9
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]+	267.045026	154.6
[M+Na]+	289.026968	165.2
[M-H]-	265.030474	158.0
[M+NH4]+	284.071573	170.0
[M+K]+	305.000908	158.6
[M+H-H2O]+	249.035010	147.0
[M+HCOO]-	311.035951	165.7
[M+CH3COO]-	325.051601	166.5
[M+Na-2H]-	287.012416	158.7
[M]+	266.03720142	157.9
[M]-	266.03829858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.