CID 3294375

Picolinafen

Structural Information

Molecular Formula

C₁₉H₁₂F₄N₂O₂

SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=N2)C(=O)NC3=CC=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)

InChIKey

CWKFPEBMTGKLKX-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 17705
Patents: 376.0835 Da
Monoisotopic Mass: 4.9
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]+	377.09078	184.3
[M+Na]+	399.07272	192.5
[M-H]-	375.07622	187.7
[M+NH4]+	394.11732	193.9
[M+K]+	415.04666	186.1
[M+H-H2O]+	359.08076	170.6
[M+HCOO]-	421.08170	201.4
[M+CH3COO]-	435.09735	218.0
[M+Na-2H]-	397.05817	187.5
[M]+	376.08295	179.8
[M]-	376.08405	179.8

Literature stripe

literature stripe

Patent stripe

patents stripe