CID 91683

Nuarimol

Structural Information

Molecular Formula

C₁₇H₁₂ClFN₂O

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl

InChI

InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H

InChIKey

SAPGTCDSBGMXCD-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 31385
Patents: 314.06223 Da
Monoisotopic Mass: 2.2
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]+	315.06951	172.0
[M+Na]+	337.05145	188.8
[M+NH4]+	332.09605	179.9
[M+K]+	353.02539	180.0
[M-H]-	313.05495	176.1
[M+Na-2H]-	335.03690	183.6
[M]+	314.06168	176.1
[M]-	314.06278	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe