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

28
Patents

220.04034 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 143.9
[M+Na]+ 243.029558 153.4
[M-H]- 219.033064 147.6
[M+NH4]+ 238.074163 160.1
[M+K]+ 259.003498 148.6
[M+H-H2O]+ 203.037600 135.5
[M+HCOO]- 265.038541 162.0
[M+CH3COO]- 279.054191 156.7
[M+Na-2H]- 241.015006 152.5
[M]+ 220.03979142 146.6
[M]- 220.04088858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe