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]+ 237.042526 147.2
[M+Na]+ 259.024468 157.1
[M-H]- 235.027974 150.1
[M+NH4]+ 254.069073 162.4
[M+K]+ 274.998408 152.0
[M+H-H2O]+ 219.032510 139.3
[M+HCOO]- 281.033451 164.1
[M+CH3COO]- 295.049101 185.9
[M+Na-2H]- 257.009916 154.6
[M]+ 236.03470142 149.9
[M]- 236.03579858 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.