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 147.2
[M+Na]+ 259.02447 157.1
[M-H]- 235.02797 150.1
[M+NH4]+ 254.06907 162.4
[M+K]+ 274.99841 152.0
[M+H-H2O]+ 219.03251 139.3
[M+HCOO]- 281.03345 164.1
[M+CH3COO]- 295.04910 185.9
[M+Na-2H]- 257.00992 154.6
[M]+ 236.03470 149.9
[M]- 236.03580 149.9
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.