CID 51341943

1003845-08-6

Structural Information

Molecular Formula

C₁₀H₁₄BClN₂O₂

SMILES

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

InChI

InChI=1S/C10H14BClN2O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3

InChIKey

VLAPDEKXZLRRKV-UHFFFAOYSA-N

Compound name

2-chloro-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: 183
Patents: 240.08368 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]+	241.09096	145.4
[M+Na]+	263.07290	156.7
[M-H]-	239.07640	151.4
[M+NH4]+	258.11750	164.8
[M+K]+	279.04684	155.7
[M+H-H2O]+	223.08094	139.7
[M+HCOO]-	285.08188	160.1
[M+CH3COO]-	299.09753	189.1
[M+Na-2H]-	261.05835	152.0
[M]+	240.08313	150.0
[M]-	240.08423	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe