CID 51063929

1216402-53-7

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

C1COCCC1OC2=NC(=NC=C2)Cl

InChI

InChI=1S/C9H11ClN2O2/c10-9-11-4-1-8(12-9)14-7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2

InChIKey

QXDLKLFGVNQFBB-UHFFFAOYSA-N

Compound name

2-chloro-4-(oxan-4-yloxy)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 214.0509 Da
Monoisotopic Mass: 1.9
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]+	215.05818	143.2
[M+Na]+	237.04012	150.4
[M-H]-	213.04362	146.9
[M+NH4]+	232.08472	158.1
[M+K]+	253.01406	148.4
[M+H-H2O]+	197.04816	134.9
[M+HCOO]-	259.04910	157.0
[M+CH3COO]-	273.06475	155.1
[M+Na-2H]-	235.02557	150.3
[M]+	214.05035	142.9
[M]-	214.05145	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe