CID 44755194

1073354-24-1

Structural Information

Molecular Formula

C₁₀H₁₃BCl₂N₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2Cl)Cl

InChI

InChI=1S/C10H13BCl2N2O2/c1-9(2)10(3,4)17-11(16-9)6-5-14-8(13)15-7(6)12/h5H,1-4H3

InChIKey

BILQUEVRDMMIGE-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 274.0447 Da
Monoisotopic Mass: None
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]+	275.051976	150.5
[M+Na]+	297.033918	162.6
[M-H]-	273.037424	155.9
[M+NH4]+	292.078523	169.0
[M+K]+	313.007858	160.4
[M+H-H2O]+	257.041960	145.3
[M+HCOO]-	319.042901	159.9
[M+CH3COO]-	333.058551	163.8
[M+Na-2H]-	295.019366	155.6
[M]+	274.04415142	156.2
[M]-	274.04524858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe