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: 36
Patents: 220.04034 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.04762	145.4
[M+Na]+	243.02956	162.1
[M+NH4]+	238.07416	154.2
[M+K]+	259.00350	153.8
[M-H]-	219.03306	149.0
[M+Na-2H]-	241.01501	155.6
[M]+	220.03979	149.2
[M]-	220.04089	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe