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

44
Patents

220.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.047616 144.3
[M+Na]+ 243.029558 154.4
[M-H]- 219.033064 147.2
[M+NH4]+ 238.074163 160.3
[M+K]+ 259.003498 148.7
[M+H-H2O]+ 203.037600 136.7
[M+HCOO]- 265.038541 161.1
[M+CH3COO]- 279.054191 156.9
[M+Na-2H]- 241.015006 151.8
[M]+ 220.03979142 145.7
[M]- 220.04088858 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