CID 91724

Fenpiclonil

Structural Information

Molecular Formula

C₁₁H₆Cl₂N₂

SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=CNC=C2C#N

InChI

InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H

InChIKey

FKLFBQCQQYDUAM-UHFFFAOYSA-N

Compound name

4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 30968
Patents: 235.9908 Da
Monoisotopic Mass: 4.3
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]+	236.99808	145.9
[M+Na]+	258.98002	160.8
[M+NH4]+	254.02462	151.9
[M+K]+	274.95396	151.1
[M-H]-	234.98352	142.2
[M+Na-2H]-	256.96547	151.8
[M]+	235.99025	146.8
[M]-	235.99135	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe