CID 14626249

Imidacloprid-olefin

Structural Information

Molecular Formula

C₉H₈ClN₅O₂

SMILES

C1=CC(=NC=C1CN2C=CN=C2N[N+](=O)[O-])Cl

InChI

InChI=1S/C9H8ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-5H,6H2,(H,11,13)

InChIKey

TYLCDJYHUVCRBH-UHFFFAOYSA-N

Compound name

N-[1-[(6-chloropyridin-3-yl)methyl]imidazol-2-yl]nitramide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 40
Patents: 253.03665 Da
Monoisotopic Mass: 2.0
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]+	254.04393	148.4
[M+Na]+	276.02587	162.3
[M+NH4]+	271.07047	155.5
[M+K]+	291.99981	160.5
[M-H]-	252.02937	151.9
[M+Na-2H]-	274.01132	156.4
[M]+	253.03610	151.4
[M]-	253.03720	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe