CID 22599871

4-(benzyloxy)-6-chloropyrimidine

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

C1=CC=C(C=C1)COC2=CC(=NC=N2)Cl

InChI

InChI=1S/C11H9ClN2O/c12-10-6-11(14-8-13-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2

InChIKey

KXDXFVQZZGSEBU-UHFFFAOYSA-N

Compound name

4-chloro-6-phenylmethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 220.04034 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]+	221.04762	143.9
[M+Na]+	243.02956	153.4
[M-H]-	219.03306	147.6
[M+NH4]+	238.07416	160.1
[M+K]+	259.00350	148.6
[M+H-H2O]+	203.03760	135.5
[M+HCOO]-	265.03854	162.0
[M+CH3COO]-	279.05419	156.7
[M+Na-2H]-	241.01501	152.5
[M]+	220.03979	146.6
[M]-	220.04089	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe