CID 33605

Triarimol

Structural Information

Molecular Formula

C₁₇H₁₂Cl₂N₂O

SMILES

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

InChI

InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H

InChIKey

MYUPFXPCYUISAG-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl)-phenyl-pyrimidin-5-ylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 6974
Patents: 330.03265 Da
Monoisotopic Mass: 2.6
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]+	331.039926	172.4
[M+Na]+	353.021868	181.7
[M-H]-	329.025374	177.2
[M+NH4]+	348.066473	183.7
[M+K]+	368.995808	173.6
[M+H-H2O]+	313.029910	163.1
[M+HCOO]-	375.030851	181.4
[M+CH3COO]-	389.046501	182.4
[M+Na-2H]-	351.007316	178.8
[M]+	330.03210142	174.1
[M]-	330.03319858	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe