CID 42552982

885952-28-3

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
C1=CC=C(C=C1)COC2=NC(=NC=C2O)Cl
InChI
InChI=1S/C11H9ClN2O2/c12-11-13-6-9(15)10(14-11)16-7-8-4-2-1-3-5-8/h1-6,15H,7H2
InChIKey
URJRKXXIIWYWIS-UHFFFAOYSA-N
Compound name
2-chloro-4-phenylmethoxypyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.03525 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04253 148.5
[M+Na]+ 259.02447 164.7
[M+NH4]+ 254.06907 156.7
[M+K]+ 274.99841 156.9
[M-H]- 235.02797 151.6
[M+Na-2H]- 257.00992 158.2
[M]+ 236.03470 152.0
[M]- 236.03580 152.0
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

No patent data available for this compound.