CID 55270783

2,4-dichloro-5-cyclopropylpyrimidine

Structural Information

Molecular Formula

C₇H₆Cl₂N₂

SMILES

C1CC1C2=CN=C(N=C2Cl)Cl

InChI

InChI=1S/C7H6Cl2N2/c8-6-5(4-1-2-4)3-10-7(9)11-6/h3-4H,1-2H2

InChIKey

KKSKKVUKDFJQMS-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-cyclopropylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 187.9908 Da
Monoisotopic Mass: 3.0
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]+	188.99808	135.6
[M+Na]+	210.98002	147.7
[M-H]-	186.98352	139.4
[M+NH4]+	206.02462	149.1
[M+K]+	226.95396	142.1
[M+H-H2O]+	170.98806	128.5
[M+HCOO]-	232.98900	148.9
[M+CH3COO]-	247.00465	148.3
[M+Na-2H]-	208.96547	142.0
[M]+	187.99025	139.5
[M]-	187.99135	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe