CID 12685528

2,4-dichloro-5-methyl-6-phenylpyrimidine

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂

SMILES

CC1=C(N=C(N=C1Cl)Cl)C2=CC=CC=C2

InChI

InChI=1S/C11H8Cl2N2/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3

InChIKey

MIOVUZDBKROLPF-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-methyl-6-phenylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.00645 Da
Monoisotopic Mass: 4.2
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]+	239.01373	148.1
[M+Na]+	260.99567	166.6
[M+NH4]+	256.04027	157.9
[M+K]+	276.96961	157.0
[M-H]-	236.99917	152.6
[M+Na-2H]-	258.98112	158.9
[M]+	238.00590	152.9
[M]-	238.00700	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe