CID 24901878

859517-90-1

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC(=CC(=C1)C2=NC(=NC=C2)Cl)CO
InChI
InChI=1S/C11H9ClN2O/c12-11-13-5-4-10(14-11)9-3-1-2-8(6-9)7-15/h1-6,15H,7H2
InChIKey
OKUZPLMHADFIMS-UHFFFAOYSA-N
Compound name
[3-(2-chloropyrimidin-4-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

220.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.3
[M+Na]+ 243.02956 154.4
[M-H]- 219.03306 147.2
[M+NH4]+ 238.07416 160.3
[M+K]+ 259.00350 148.7
[M+H-H2O]+ 203.03760 136.7
[M+HCOO]- 265.03854 161.1
[M+CH3COO]- 279.05419 156.9
[M+Na-2H]- 241.01501 151.8
[M]+ 220.03979 145.7
[M]- 220.04089 145.7
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