CID 91727

Flutriafol

Structural Information

Molecular Formula

C₁₆H₁₃F₂N₃O

SMILES

C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F

InChI

InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2

InChIKey

JWUCHKBSVLQQCO-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 26
References: 41932
Patents: 301.10266 Da
Monoisotopic Mass: 2.3
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]+	302.109936	167.1
[M+Na]+	324.091878	175.8
[M-H]-	300.095384	169.4
[M+NH4]+	319.136483	178.7
[M+K]+	340.065818	169.5
[M+H-H2O]+	284.099920	155.4
[M+HCOO]-	346.100861	183.7
[M+CH3COO]-	360.116511	177.2
[M+Na-2H]-	322.077326	171.4
[M]+	301.10211142	164.2
[M]-	301.10320858	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe