CID 135529435

Clothianidin

Structural Information

Molecular Formula

C₆H₈ClN₅O₂S

SMILES

CN/C(=N/[N+](=O)[O-])/NCC1=CN=C(S1)Cl

InChI

InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)

InChIKey

PGOOBECODWQEAB-UHFFFAOYSA-N

Compound name

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 579
References: 42560
Patents: 249.00873 Da
Monoisotopic Mass: 1.3
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]+	250.01601	147.3
[M+Na]+	271.99795	155.9
[M+NH4]+	267.04255	154.4
[M+K]+	287.97189	153.6
[M-H]-	248.00145	150.2
[M+Na-2H]-	269.98340	151.7
[M]+	249.00818	149.4
[M]-	249.00928	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe