CID 9834513

Flonicamid

Structural Information

Molecular Formula

C₉H₆F₃N₃O

SMILES

C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N

InChI

InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)

InChIKey

RLQJEEJISHYWON-UHFFFAOYSA-N

Compound name

N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 70
References: 59337
Patents: 229.0463 Da
Monoisotopic Mass: 0.8
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]+	230.05358	144.0
[M+Na]+	252.03552	153.1
[M-H]-	228.03902	142.0
[M+NH4]+	247.08012	158.3
[M+K]+	268.00946	150.5
[M+H-H2O]+	212.04356	128.2
[M+HCOO]-	274.04450	159.6
[M+CH3COO]-	288.06015	201.7
[M+Na-2H]-	250.02097	148.9
[M]+	229.04575	134.8
[M]-	229.04685	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe