CID 86287519

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
8
Annotation Hits

601
References

47067
Patents

249.00873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.016006 148.9
[M+Na]+ 271.997948 155.0
[M-H]- 248.001454 152.6
[M+NH4]+ 267.042553 166.4
[M+K]+ 287.971888 148.0
[M+H-H2O]+ 232.005990 146.5
[M+HCOO]- 294.006931 168.2
[M+CH3COO]- 308.022581 189.8
[M+Na-2H]- 269.983396 154.2
[M]+ 249.00818142 149.1
[M]- 249.00927858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe